Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0102090018
Common NameCarvone oxide
Systematic Name-
Synonyms-
Exact Mass
166.0994 (neutral)    Calculate m/z:
FormulaC10H14O2
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC10 isoprenoids (monoterpenes) [PR0102]
Class Level 4Menthane monoterpenoids [PR010209]
PubChem CID442462
KEGG IDC09841
InChIKeyYGMNGQDLUQECTO-SFGNSQDASA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C10H14O2/c1-6(2)7-4-8(11)10(3)9(5-7)12-10/h7,9H,1,4-5H2,2-3H3/t7-,9+,10
-/m0/s1
SMILES[C@]12(C)C(=O)C[C@H](C(=C)C)C[C@@]1([H])O2
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms12Rings2Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
169.14Topological Polar
Surface Area
29.60Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP2.27Molar
Refractivity
46.85