Structure Database (LMSD)

Common Name
(1R,4S)-Iso-dihydrocarvone
Systematic Name
Synonyms
LM ID
LMPR0102090037
Formula
C10H16O
Exact Mass
Calculate m/z
152.120115
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)
AZOCECCLWFDTAP-BDAKNGLRSA-N
InChi (Click to copy)
InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-9H,1,4-6H2,2-3H3/t8-,9+/m1/s1
SMILES (Click to copy)
C1C[C@@H](CC(=O)[C@@H]1C)C(=C)C

Other Databases

KEGG ID
C11412
CHEBI ID
155
PubChem CID
443181

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 2.57
Molar Refractivity 46.33

Admin

Created at
-
Updated at
-