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(1R,2Z,4S,7Z)-1,7-dimethyl-4-propan-2-ylcyclodeca-2,7-dien-1-ol

PubChem CID: 101589676

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Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 20.2
Hydrogen Bond Donor Count 1.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCCCCCCCC1
Np Classifier Class Germacrane sesquiterpenoids
Deep Smiles C/C=C/CC[C@@]C)O)/C=C[C@@H]CC%10))CC)C
Heavy Atom Count 16.0
Classyfire Class Prenol lipids
Scaffold Graph Node Level C1CCCCCCCCC1
Classyfire Subclass Sesquiterpenoids
Isotope Atom Count 0.0
Molecular Complexity 275.0
Database Name imppat_phytochem;pubchem
Defined Atom Stereocenter Count 2.0
Iupac Name (1R,2Z,4S,7Z)-1,7-dimethyl-4-propan-2-ylcyclodeca-2,7-dien-1-ol
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 3.8
Gsk 4 400 Rule False
Molecular Formula C15H26O
Scaffold Graph Node Bond Level C1=CCCCC=CCCC1
Inchi Key RHCTXHCNRLCYBN-XUDUNUHRSA-N
Silicos It Class Soluble
Rotatable Bond Count 1.0
Synonyms germacra-1(10),5-dien-4-ol, germacrene d - 4 ol, germacrene d-4- ol, germacrene d-4-ol, germacrene δ-4-ol, germacrene-d-4-ol, germacrened-4-ol
Esol Class Soluble
Functional Groups C/C=C(C)C, C/C=CC, CO
Compound Name (1R,2Z,4S,7Z)-1,7-dimethyl-4-propan-2-ylcyclodeca-2,7-dien-1-ol
Exact Mass 222.198
Formal Charge 0.0
Monoisotopic Mass 222.198
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 222.37
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 2.0
Lipinski Rule Of 5 True
Inchi InChI=1S/C15H26O/c1-12(2)14-8-7-13(3)6-5-10-15(4,16)11-9-14/h6,9,11-12,14,16H,5,7-8,10H2,1-4H3/b11-9-,13-6-/t14-,15-/m1/s1
Smiles C/C/1=C/CC[C@@](/C=C\[C@@H](CC1)C(C)C)(C)O
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 2.0
Egan Rule True
Np Classifier Superclass Sesquiterpenoids

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