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Cadinane

PubChem CID: 9548708

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Compound Synonyms Cadinane, 483-73-8, (1S,4S,4aS,6S,8aS)-4-isopropyl-1,6-dimethyldecahydronaphthalene, CHEBI:36513, (1S,4S,4aS,6S,8aS)-1,6-dimethyl-4-(propan-2-yl)decahydronaphthalene, (1S,4S,4aS,6S,8aS)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene, DTXSID301020553, Q27116864, [1S-(1I+/-,4I+/-,4aI+/-,6I+/-,8aI(2))]-decahydro-1,6-dimethyl-4- (1-methylethyl)naphthalene
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 0.0
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCC2CCCCC2C1
Np Classifier Class Cadinane sesquiterpenoids
Deep Smiles C[C@H]CC[C@@H][C@@H]C6)[C@@H]CC[C@@H]6C))))CC)C
Heavy Atom Count 15.0
Classyfire Class Prenol lipids
Scaffold Graph Node Level C1CCC2CCCCC2C1
Classyfire Subclass Sesquiterpenoids
Isotope Atom Count 0.0
Molecular Complexity 206.0
Database Name imppat_phytochem;pubchem
Defined Atom Stereocenter Count 5.0
Iupac Name (1S,4S,4aS,6S,8aS)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 6.2
Gsk 4 400 Rule False
Molecular Formula C15H28
Scaffold Graph Node Bond Level C1CCC2CCCCC2C1
Inchi Key FZZNNPQZDRVKLU-YTFOTSKYSA-N
Silicos It Class Soluble
Rotatable Bond Count 1.0
Synonyms (-)-cadinane, cadinene, candinene
Esol Class Moderately soluble
Compound Name Cadinane
Exact Mass 208.219
Formal Charge 0.0
Monoisotopic Mass 208.219
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 208.38
Gi Absorption False
Covalent Unit Count 1.0
Total Atom Stereocenter Count 5.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Inchi InChI=1S/C15H28/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h10-15H,5-9H2,1-4H3/t11-,12-,13-,14-,15-/m0/s1
Smiles C[C@H]1CC[C@H]2[C@H](CC[C@H]([C@@H]2C1)C(C)C)C
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Sesquiterpenoids

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