Structure Database (LMSD)

Common Name
terpinolene
Systematic Name
1-methyl-4-(propan-2-ylidene)cyclohexene p-mentha-1,4(8)-diene
Synonyms
  • 1,4(8)-p-menthadiene
  • 1-methyl-4-(1-methylethylidene)-1-cyclohexene
  • 1-methyl-4-(1-methylethylidene)cyclohexene
  • 4-isopropylidene-1-methylcyclohexene
  • Terpinolen
  • Terpinolene
  • alpha-terpinolene
  • isoterpinene
  • terpinolene
LM ID
LMPR0102090062
Formula
C10H16
Exact Mass
Calculate m/z
136.1252
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C10 isoprenoids (monoterpenes) [PR0102]
Menthane monoterpenoids [PR010209]

String Representations

InChiKey (Click to copy)
MOYAFQVGZZPNRA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3
SMILES (Click to copy)
C1(CC/C(/CC=1)=C(\C)/C)C

References

Other Databases

KEGG ID
C06075
HMDB ID
HMDB0036994
CHEBI ID
9457
PubChem CID
11463
Cayman ID
21712
PDB ID
9LR

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 1
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 163.92
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 3.45
Molar Refractivity 45.98

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Created at
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Updated at
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