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alpha-Pinene, (+)-

PubChem CID: 82227

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Compound Synonyms (+)-alpha-Pinene, 7785-70-8, (1R,5R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene, (1R)-(+)-alpha-Pinene, alpha-Pinene, (+)-, d-.alpha.-Pinene, alpha-Pinene(dextro), (+)-Pin-2(3)-ene, (1R)-, A-Pinene, (+)-.alpha.-Pinene, (+)-2-Pinene, (1R,5R)-alpha-pinene, H6CM4TWH1W, (1R,5R)-2-Pinene, Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1R,5R)-, CCRIS 9059, (1R)-alpha-Pinene, DTXSID7041671, CHEBI:28261, 1R-(+)-a-pinene, EINECS 232-087-8, MFCD00001346, (1R)-(+)-a-Pinene, (1R,5R)-pin-2-ene, .ALPHA.-PINENE, D-, (+)-3,6,6-TRIMETHYLBICYCLO[3.1.1]HEPT-2-ENE, .ALPHA.-PINENE-(+), (1R)-.ALPHA.-PINENE, DTXCID5021671, EC 232-087-8, (R)-(+)-.ALPHA.-PINENE, (+)-(1R)-.ALPHA.-PINENE, (1R)-(+)-.ALPHA.-PINENE, Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl-, (1R)-, Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl-, (1R,5R)-, (+)-(1R,5R)-.ALPHA.-PINENE, (1R,5R)-(+)-.ALPHA.-PINENE, FEMA NO. 2902, (+)-, 2-PINENE, (1R,5R)-(+)-, 2,6,6-trimethyl-Bicyclo(3.1.1)hept-2-ene, (1R,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-ene, Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1R)-, (1R,5R)-2,6,6-TRIMETHYLBICYCLO(3.1.1)HEPT-2-ENE, Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl-, (1theta)-, (1R)-(+)-a-Pinene (~80% ee), D-alpha-PINENE, 2,6,6-trimethyl-bicyclo[3.1.1]hept-2-ene, UNII-H6CM4TWH1W, (+)-3,6,6-TRIMETHYLBICYCLO(3.1.1)HEPT-2-ENE, (+)-alpha-Pinene, 98%, (1R)-(+)-, A-Pinene, l-Pinen, 1R-alpha-Pinene, 1R-a-Pinene, alpha-Pinene, 98%, (+)- alpha -Pinene, (1R,5R)2Pinene, 1R-(+)-alpha-pinene, (+)Pin2(3)ene, (r)-(+)-alpha-pinene, ALPHA-PINENE, D-, ALPHA-PINENE-(+), (+)-(1r,5r)-alpha-pinene, (1R)-, A-Pinene (Standard), (1r,5r)-(+)-alpha-pinene, CHEMBL1236329, (+)-alpha-Pinene, >=99%, HY-Y0739R, .ALPHA.-PINENE, (+)-, (+)-(1R)-ALPHA-PINENE, HY-Y0739, Tox21_303429, AKOS016842885, (+)-alpha-Pinene, analytical standard, LMPR0102120012, (1R,5R)2,6,6Trimethylbicyclohept2ene, NCGC00257486-01, (1R)-(+)-alpha-Pinene, 97%, FG, AS-35304, FP172233, 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, Q2095629, (1R)-(+)-ALPHA-PINENE(EE VALUE 80-90%), alpha-Pinene, primary pharmaceutical reference standard, Bicyclo(3.1.1)hept2ene, 2,6,6trimethyl, (1theta), Bicyclo(3.1.1)hept2ene, 2,6,6trimethyl, (1R,5R), Z1255386675, (R)-(+)--Pinene, (+)--Pinene, (1R)-(+)--Pinene, (1R)--Pinene, (1R,5R)-(+)--Pinene, (+)-alpha-Pinene, (1R,5R)-2-Pinene, (1R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene, (1R,5R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-en, 232-087-8
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 0.0
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CC2CC(C1)C2
Np Classifier Class Pinane monoterpenoids
Deep Smiles CC=CC[C@@H]C[C@H]6C4C)C
Heavy Atom Count 10.0
Classyfire Class Prenol lipids
Description alpha-Pinene is an organic compound of the terpene class, one of two isomers of pinene. It is found in the oils of many species of many coniferous trees, notably the pine. It is also found in the essential oil of rosemary (Rosmarinus officinalis). Both enantiomers are known in nature, 1S,5S- or (-)-alpha-pinene is more common in European pines, whereas the 1R,5R- or (+)-alpha-isomer is more common in North America. The racemic mixture is present in some oils such as eucalyptus oil.
Scaffold Graph Node Level C1CC2CC(C1)C2
Classyfire Subclass Monoterpenoids
Isotope Atom Count 0.0
Molecular Complexity 186.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 2.0
Uniprot Id P45984, n.a., P04792
Iupac Name (1R,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
Prediction Hob 1.0
Class Prenol lipids
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 2.8
Superclass Lipids and lipid-like molecules
Subclass Monoterpenoids
Gsk 4 400 Rule True
Molecular Formula C10H16
Scaffold Graph Node Bond Level C1=CC2CC(C1)C2
Prediction Swissadme 0.0
Inchi Key GRWFGVWFFZKLTI-RKDXNWHRSA-N
Silicos It Class Soluble
Fcsp3 0.8
Logs -4.104
Rotatable Bond Count 0.0
State Liquid
Logd 4.067
Synonyms (+-)-2-Pinene, (+-)-a-Pinene, (+-)-alpha-Pinene, (+-)-α-pinene, (+)-alpha-pinene, (+)-Pin-2(3)-ene, (1R,5R)-2-Pinene, (1R,5R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene, (1R,5R)-pin-2-ene, (1R)-(+)-alpha-Pinene, (1R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene, 1R-(+)-a-pinene, 1R-(+)-alpha-pinene, 1R-a-Pinene, 1R-alpha-Pinene, 2-Pinene, 2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene, a-Pinene, Alpha-pinene(dextro), Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl-, (1R,5R)-, Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1R)-, Dextro-alpha-pinene, Pin-2(3)-ene, α-pinene, (-)-a-pinene, (-)-alpha-Pinene, (-)-α-pinene, (1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene, (1S,5S)-a-Pinene, (1S,5S)-alpha-Pinene, (1S,5S)-α-pinene, (1S)-(-)-a-Pinene, (1S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene, 1S-(-)-a-pinene, 1S-a-Pinene, 1S,5S-(-)-alpha-Pinene, a-pinene, (-)-, L-a-pinene, (+)-3,6,6-TRIMETHYLBICYCLO[3.1.1]hept-2-ene, (1R,5R)-alpha-Pinene, alpha-Pinene(dextro), (1R,5R)-a-Pinene, (1R,5R)-Α-pinene, a-Pinene(dextro), Α-pinene(dextro), (+)-a-Pinene, (+)-Α-pinene, (+)-(1R)-alpha-Pinene, (+)-(1R)-α-Pinene, (+)-(1R,5R)-alpha-Pinene, (+)-(1R,5R)-α-Pinene, (+)-2-Pinene, (+)-alpha-Pinene, (1R)-(+)-α-Pinene, (1R)-alpha-Pinene, (1R)-α-Pinene, (1R,5R)-(+)-alpha-Pinene, (1R,5R)-(+)-α-Pinene, (R)-(+)-alpha-Pinene, (R)-(+)-α-Pinene, (±)-2-Pinene, (±)-alpha-Pinene, (±)-α-Pinene, alpha-Pinene, α-Pinene, (1R,5R)-(+)-2-Pinene, d-alpha-Pinene, d-α-Pinene, (+)-α-pinene
Substituent Name Pinane monoterpenoid, Bicyclic monoterpenoid, Polycyclic hydrocarbon, Cyclic olefin, Olefin, Hydrocarbon, Aliphatic homopolycyclic compound
Esol Class Soluble
Functional Groups CC=C(C)C
Compound Name alpha-Pinene, (+)-
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 136.125
Formal Charge 0.0
Monoisotopic Mass 136.125
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 136.23
Gi Absorption False
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic homopolycyclic compounds
Lipinski Rule Of 5 True
Esol -3.5070756000000003
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
Smiles CC1=CC[C@@H]2C[C@H]1C2(C)C
Nring 3.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Bicyclic monoterpenoids
Np Classifier Superclass Monoterpenoids

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