Structure Database (LMSD)

O
Systematic Name
4-acetyl-1 ,4-dimethyl-1-cyclohexene
Synonyms
  • 1-(1,4-dimethylcyclohex-3-enyl)ethanone
LM ID
LMPR0102100001
Formula
C10H16O
Exact Mass
Calculate m/z
152.120115
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]
Other cyclohexane monoterpenoids [PR010210]

String Representations

InChiKey (Click to copy)
BIUSXTISNNLMOR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H16O/c1-8-4-6-10(3,7-5-8)9(2)11/h4H,5-7H2,1-3H3
SMILES (Click to copy)
C1C(C)=CCC(C(=O)C)(C)C1

References

Other Databases

HMDB ID
HMDB0037024
CHEBI ID
171953
PubChem CID
65289

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 1
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 172.71
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 2.71
Molar Refractivity 46.40

Admin

Created at
-
Updated at
-