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beta-Pinene, (+)-

PubChem CID: 10290825

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Compound Synonyms (+)-beta-Pinene, 19902-08-0, beta-Pinene, (+)-, (1R,5R)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane, D-beta-Pinene, beta-Pinene-(+), (+)-2(10)-Pinene, (1R)-(+)-beta-Pinene, IGO73S04D5, FEMA No. 2903, (+)-, CHEBI:50026, 2(10)-Pinene, (1R,5R)-(+)-, (1R,5R)-pin-2(10)-ene, D-.BETA.-PINENE, (+)-.BETA.-PINENE, .BETA.-PINENE-(+), (1R,5R)-6,6-Dimethyl-2-methylenebicyclo(3.1.1)heptane, Bicyclo(3.1.1)heptane, 6,6-dimethyl-2-methylene-, (1R)-, Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-, (1R,5R)-, DTXSID00173682, (1R)-(+)-.BETA.-PINENE, (+)-b-Pinene, (1R,5R)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane, Nopinen, (1R,5R)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]hept-2-ene, (1R,5R)-6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptane, (1R,5R)-2(10)-Pinene, (1R,5R)-6,6-dimethyl-2-methylidenebicyclo(3.1.1)heptane, (1R,5R)-6,6-dimethyl-4-methylidenebicyclo(3.1.1)heptane, UNII-IGO73S04D5, (1R,5R)-6,6-Dimethyl-2-methylenebicyclo(3.1.1)hept-2-ene, (1R,5R)-6,6-dimethyl-2-methylidenebicyclo(3.1.1)heptane, (1R,5R)-pin-2(10)-ene, (1R,5R)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane, (1R,5R)-pin-2(10)-ene, (+)- beta -Pinene, (1R,5R)-beta-pinene, CHEMBL2269085, DTXCID7096173, .BETA.-PINENE, (+)-, (+)-beta-Pinene, analytical standard, AKOS025311429, FD143194, NS00094590, (1R,5R)-6,6-dimethyl-2-methylene-norpinane, C20244, EN300-1698783, 6,6-dimethyl-2-methylenebicyclo[3.1.1]-heptane, Q27121761, (1R,5R)-6,6-dimethyl-2-methylene-bicyclo[3.1.1]Heptane, 628-845-6
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 CC1CCC2CC1C2
Np Classifier Class Pinane monoterpenoids
Deep Smiles C=CCC[C@@H]C[C@H]6C4C)C
Heavy Atom Count 10.0
Classyfire Class Prenol lipids
Scaffold Graph Node Level CC1CCC2CC1C2
Classyfire Subclass Monoterpenoids
Isotope Atom Count 0.0
Molecular Complexity 176.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 2.0
Iupac Name (1R,5R)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 3.1
Gsk 4 400 Rule True
Molecular Formula C10H16
Scaffold Graph Node Bond Level C=C1CCC2CC1C2
Prediction Swissadme 0.0
Inchi Key WTARULDDTDQWMU-RKDXNWHRSA-N
Silicos It Class Soluble
Fcsp3 0.8
Logs -3.932
Rotatable Bond Count 0.0
Logd 3.961
Synonyms (+) β-pinene, (+)-β-pinene, pinene, beta, (+)
Esol Class Soluble
Functional Groups C=C(C)C
Compound Name beta-Pinene, (+)-
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
Lipinski Rule Of 5 True
Esol -3.3054755999999994
Inchi InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m1/s1
Smiles CC1([C@@H]2CCC(=C)[C@H]1C2)C
Nring 3.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Monoterpenoids