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xi-p-Mentha-1(7),2-dien-4-ol

PubChem CID: 5319360

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Compound Synonyms xi-p-Mentha-1(7),2-dien-4-ol, 4-methylidene-1-propan-2-ylcyclohex-2-en-1-ol, CHEBI:171982, 4-methylidene-1-(propan-2-yl)cyclohex-2-en-1-ol
Topological Polar Surface Area 20.2
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 11.0
Description Isolated from black pepper oil. xi-p-Mentha-1(7),2-dien-4-ol is found in herbs and spices.
Isotope Atom Count 0.0
Molecular Complexity 191.0
Database Name cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 4-methylidene-1-propan-2-ylcyclohex-2-en-1-ol
Prediction Hob 1.0
Class Prenol lipids
Xlogp 2.2
Superclass Lipids and lipid-like molecules
Subclass Monoterpenoids
Molecular Formula C10H16O
Prediction Swissadme 1.0
Inchi Key BLCSHJQURBOXAI-UHFFFAOYSA-N
Fcsp3 0.6
Logs -2.087
Rotatable Bond Count 1.0
Logd 1.516
Substituent Name Menthane monoterpenoid, Monocyclic monoterpenoid, Tertiary alcohol, Cyclic alcohol, Hydrocarbon derivative, Organooxygen compound, Alcohol, Aliphatic homomonocyclic compound
Compound Name xi-p-Mentha-1(7),2-dien-4-ol
Kingdom Organic compounds
Prediction Hob Swissadme 1.0
Exact Mass 152.12
Formal Charge 0.0
Monoisotopic Mass 152.12
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 152.23
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol -2.0912694000000003
Inchi InChI=1S/C10H16O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,6,8,11H,3,5,7H2,1-2H3
Smiles CC(C)C1(CCC(=C)C=C1)O
Nring 1.0
Defined Bond Stereocenter Count 0.0