PubChem CID | 82227 |
Molecular Formula | C10H16 |
Structure |
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Synonyms |
7785-70-8
(+)-alpha-Pinene (1R,5R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene (1R)-(+)-alpha-Pinene alpha-Pinene, (+)- (1R,5R)-alpha-pinene (1R,5R)-2-Pinene (+)-Pin-2(3)-ene alpha-Pinene(dextro) 1R-(+)-a-pinene (+)-.alpha.-Pinene (1R)- A-Pinene Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1R,5R)- H6CM4TWH1W DTXSID7041671 CHEBI:28261 MFCD00001346 (+)-3,6,6-TRIMETHYLBICYCLO[3.1.1]HEPT-2-ENE (+)-2-Pinene (1R)-(+)-a-Pinene (1R,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-ene Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl-, (1R,5R)- (1R)-(+)-a-Pinene (~80% ee) d-.alpha.-Pinene UNII-H6CM4TWH1W (+)-alpha-Pinene, 98% (1R,5R)-2,6,6-TRIMETHYLBICYCLO(3.1.1)HEPT-2-ENE (1R)-(+)- A-Pinene CCRIS 9059 l-Pinen 1R-alpha-Pinene 1R-a-Pinene EINECS 232-087-8 (1R)-alpha-Pinene 2,6,6-trimethyl-Bicyclo(3.1.1)hept-2-ene alpha-Pinene, 98% (+)- alpha -Pinene 1R-(+)-alpha-pinene EC 232-087-8 (1R,5R)-pin-2-ene .ALPHA.-PINENE, D- (+)-?-PINENE .ALPHA.-PINENE-(+) (1R)-.ALPHA.-PINENE CHEMBL1236329 DTXCID5021671 (+)-alpha-Pinene, >=99% Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl-, (1R)- HY-Y0739 Tox21_303429 (R)-(+)-.ALPHA.-PINENE (+)-(1R)-.ALPHA.-PINENE (1R)-(+)-.ALPHA.-PINENE AKOS016842885 (+)-alpha-Pinene, analytical standard LMPR0102120012 NCGC00257486-01 (+)-(1R,5R)-.ALPHA.-PINENE (1R)-(+)-alpha-Pinene, 97%, FG (1R,5R)-(+)-.ALPHA.-PINENE AS-35304 FEMA NO. 2902, (+)- 2-PINENE, (1R,5R)-(+)- CAS-7785-70-8 (1R)-(+)-alpha-Pinene (90per cent ee) 4,7,7-trimethylbicyclo[3.1.1]hept-3-ene CS-0015738 NS00004480 EN300-90458 C06306 Q-101284 Q2095629 (1R)-(+)-ALPHA-PINENE(EE VALUE 80-90%) alpha-Pinene, primary pharmaceutical reference standard Z1255386675 Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl-, (1theta)- (R)-(+)--Pinene;(+)--Pinene; (1R)-(+)--Pinene; (1R)--Pinene; (1R,5R)-(+)--Pinene |
IUPAC Name | (1R,5R)-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-/m1/s1 |
InChIKey | GRWFGVWFFZKLTI-RKDXNWHRSA-N |
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 |
Insect | Gene Symbol | Validation | Reference |
---|---|---|---|
Dendroctonus armandi | CYP6DF1 | R | |
Dendroctonus armandi | CYP6DJ2 | R | |
Dendroctonus ponderosae | CYP345E2 | E | |
Dendroctonus ponderosae | CYP6DE1 | X |