(-)-alpha-Pinene
| PubChem CID | 440968 |
| Molecular Formula | C10H16 |
| Structure |
|
| Synonyms |
(-)-alpha-Pinene
7785-26-4 (1S)-(-)-alpha-Pinene (1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene (-)- A-pinene (-)-2-Pinene DL-ALPHA-PINENE alpha-Pinene, (-)- Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1S,5S)- Bicyclo[3.1.1]hept-2-ene,2,6,6-trimethyl-, (1S,5S)- (1S,5S)-alpha-pinene MFCD00064145 TZR3GM95PR 2-Pinene, (1S,5S)-(-)- JPF3YI7O34 DTXSID2029290 CHEBI:28660 L-.alpha.-Pinene (1S,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-ene DL-Pin-2(3)-ene FEMA No. 2902 DTXCID009290 Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl-, (1S,5S)- (1S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene 1S-.alpha.-Pinene alpha-Pinene (natural) (-)-.alpha.-Pinene CAS-7785-26-4 FEMA Number 2902 UNII-JPF3YI7O34 CCRIS 697 UNII-TZR3GM95PR HSDB 720 (1S)-(-)-.alpha.-Pinene (1S,5S)-2-Pinene Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl-, (1S)- (-)-Pin-2(3)-ene (1S)-(-)- A-Pinene CCRIS 9060 EINECS 201-291-9 EINECS 219-445-9 BRN 3194807 L-a-Pinene 1S-a-Pinene EINECS 232-077-3 AI3-24594 (-)-a-pinene Alpha-Pinene ,(S) Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl EC 201-291-9 (-)--inene (-)- alpha -Pinene 1S-(-)-a-Pinene 4-05-00-00456 (Beilstein Handbook Reference) EC 232-077-3 ALPHA-PINENE [FCC] (1S)-(-)-a-Pinene (1S,5S)-pin-2-ene ALPHA-PINENE [HSDB] 1S,5S-(-)-alpha-Pinene .ALPHA.-PINENE, L- .ALPHA.-PINENE [MI] .ALPHA.-PINENE-(-) .ALPHA.-PINENE [FHFI] (-)-(1S,5S)-alpha-pinene CHEMBL3109297 (+/-)-.ALPHA.-PINENE HY-N0549 Tox21_201760 Tox21_303591 (S)-(-)-.ALPHA.-PINENE BBL027336 MFCD00001339 s5596 STK801840 UN2368 (-)-(1S)-.ALPHA.-PINENE .ALPHA.-PINENE, (+/-)- AKOS005622550 AKOS015918159 (-)-alpha-Pinene, analytical standard CCG-266135 NCGC00249114-01 NCGC00257392-01 NCGC00259309-01 (1S,5S)-(-)-.ALPHA.-PINENE DA-69020 FEMA NO. 2902, (-)- VS-08526 (-)-alpha-Pinene, >=97%, FCC, FG CS-0009077 NS00094657 alpha-Pinene [UN2368] [Flammable liquid] EN300-90459 C06308 D96797 A839244 Q300852 4,6,6-Trimethylbicyklo(3,1,1)hept-3-en [Czech] J-500490 Z1255427385 (-)-alpha-Pinene, 99%, optical purity ee: 97% (GLC) (-)-alpha-Pinene, 98%, optical purity ee: >=81% (GLC) (-)-alpha-Pinene, 99%, optical purity ee: >=86% (GLC) |
Computed Descriptors
| IUPAC Name | (1S,5S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene |
| SMILES | CC1=CC[C@H]2C[C@@H]1C2(C)C |
| Canonical SMILES | CC1=CCC2CC1C2(C)C |
| InChI | InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m0/s1 |
| InChIKey | GRWFGVWFFZKLTI-IUCAKERBSA-N |
Computed Properties
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| Molecular Weight | 136.23 g/mol |
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Exact Mass | 136.125 |
| Monoisotopic Mass | 136.125 |
| Topological Polar Surface Area | 0 |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 186 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
2 pairs of Verified P450 and (-)-alpha-Pinene
| Insect | Gene Symbol | Validation | Reference |
|---|---|---|---|
| Dendroctonus ponderosae | CYP345E2 | E | |
| Dendroctonus ponderosae | CYP6DE1 | X |