(+)-alpha-Pinene


PubChem CID 82227
Molecular Formula C10H16
Structure Compound Image
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

Computed Descriptors


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

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

4 pairs of Verified P450 and (+)-alpha-Pinene


Insect Gene Symbol Validation Reference
Dendroctonus armandi CYP6DF1 R
Dendroctonus armandi CYP6DJ2 R
Dendroctonus ponderosae CYP345E2 E
Dendroctonus ponderosae CYP6DE1 X