Structure Database (LMSD)

Common Name
beta-Citronellol
Systematic Name
Synonyms
LM ID
LMPR0102010008
Status
Active
Exact Mass
Calculate m/z
156.151415
Formula
C10H20O
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C10 isoprenoids (monoterpenes) [PR0102]
Acyclic monoterpenoids [PR010201]

String Representations

InChiKey (Click to copy)
QMVPMAAFGQKVCJ-SNVBAGLBSA-N
InChi (Click to copy)
InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m1/s1
SMILES (Click to copy)
[C@H](C)(CCO)CC/C=C(\C)/C

References

Other Databases

KEGG ID
C09849
HMDB ID
HMDB0035093
CHEBI ID
10360
PubChem CID
101977
Cayman ID
23464

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 187.71
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 3.04
Molar Refractivity 50.02

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Updated at
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