Structure Database (LMSD)

Common Name
(1S,2R,4S)-Neo-dihydrocarveol
Systematic Name
Synonyms
LM ID
LMPR0102090040
Formula
C10H18O
Exact Mass
Calculate m/z
154.135765
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

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)
KRCZYMFUWVJCLI-LPEHRKFASA-N
InChi (Click to copy)
InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3/t8-,9-,10+/m0/s1
SMILES (Click to copy)
C1C[C@@H](C[C@@H](O)[C@H]1C)C(=C)C

Other Databases

KEGG ID
C11416
CHEBI ID
158
PubChem CID
443184

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 1
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 175.35
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 2.65
Molar Refractivity 47.84

Admin

Created at
-
Updated at
-