Structure Database (LMSD)

Common Name
Carvone oxide
Systematic Name
Synonyms
LM ID
LMPR0102090018
Formula
C10H14O2
Exact Mass
Calculate m/z
166.09938
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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)
YGMNGQDLUQECTO-SFGNSQDASA-N
InChi (Click to copy)
InChI=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 (Click to copy)
[C@]12(C)C(=O)C[C@H](C(=C)C)C[C@@]1([H])O2

Other Databases

KEGG ID
C09841
PubChem CID
442462

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 2
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 169.14
Topological Polar Surface Area 29.60
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 2.27
Molar Refractivity 46.85

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Created at
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Updated at
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