Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0102090009
Common Name(-)-Isopiperitenone
Systematic Name-
Synonyms-
Exact Mass
150.1045 (neutral)    Calculate m/z:
FormulaC10H14O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC10 isoprenoids (monoterpenes) [PR0102]
Class Level 4Menthane monoterpenoids [PR010209]
PubChem CID439733
KEGG IDC02485
CHEBI ID6041
InChIKeySEZLYIWMVRUIKT-SECBINFHSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6,9H,1,4-5H2,2-3H3/t9-/m1/s1
SMILES[C@H]1(C(=C)C)CCC(C)=CC1=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms11Rings1Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
170.07Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP2.49Molar
Refractivity
46.30