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2-Carene

PubChem CID: 79044

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Compound Synonyms 2-Carene, 3,7,7-Trimethylbicyclo[4.1.0]hept-2-ene, 554-61-0, 4,7,7-trimethylbicyclo[4.1.0]hept-4-ene, DTXSID00858821, 4,7,7-trimethylbicyclo(4.1.0)hept-4-ene, 3,7,7-TRIMETHYLBICYCLO(4.1.0)HEPT-2-ENE, delta-2-carene, Bicyclo(4.1.0)hept-2-ene, 3,7,7-trimethyl-, Bicyclo[4.1.0]hept-2-ene, 3,7,7-trimethyl-, CHEMBL2286984, DTXCID70809567, CHEBI:184750, AKOS025295339, DB-070610, NS00122154
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 C1CCC2CC2C1
Np Classifier Class Carane monoterpenoids
Deep Smiles CC=CCCCC6))C3C)C
Heavy Atom Count 10.0
Classyfire Class Prenol lipids
Scaffold Graph Node Level C1CCC2CC2C1
Classyfire Subclass Monoterpenoids
Isotope Atom Count 0.0
Molecular Complexity 186.0
Database Name cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 3,7,7-trimethylbicyclo[4.1.0]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=CC2CC2CC1
Prediction Swissadme 0.0
Inchi Key IBVJWOMJGCHRRW-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.8
Logs -4.597
Rotatable Bond Count 0.0
Logd 3.703
Synonyms (+)-2-Carene, 2-Carene, 2-carene
Esol Class Soluble
Functional Groups CC=C(C)C
Compound Name 2-Carene
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 -2.4801756
Inchi InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h6,8-9H,4-5H2,1-3H3
Smiles CC1=CC2C(C2(C)C)CC1
Nring 2.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Bicyclic monoterpenoids
Np Classifier Superclass Monoterpenoids