Structure database (LMSD)

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LM IDLMPR0102090062
Common Nameterpinolene
Systematic Name1-methyl-4-(propan-2-ylidene)cyclohexene p-mentha-1,4(8)-diene
Synonyms1,4(8)-p-menthadiene; 1-methyl-4-(1-methylethylidene)-1-cyclohexene; 1-methyl-
4-(1-methylethylidene)cyclohexene; 4-isopropylidene-1-methylcyclohexene;
Terpinolen; Terpinolene; α-terpinolene; isoterpinene; terpinolene
Exact Mass
136.1252 (neutral)    Calculate m/z:
FormulaC10H16
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC10 isoprenoids (monoterpenes) [PR0102]
Class Level 4Menthane monoterpenoids [PR010209]
PubChem CID11463
KEGG IDC06075
HMDB IDHMDB0036994
CHEBI ID9457
InChIKeyMOYAFQVGZZPNRA-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3
SMILESC1(CC/C(/CC=1)=C(\C)/C)C
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms10Rings1Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
163.92Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP3.45Molar
Refractivity
45.98