Structure Database (LMSD)

Common Name
(E)-3-Methyl-4-decen-1-ol
Systematic Name
(4E)-3-methyldec-4-en-1-ol
Synonyms
LM ID
LMFA05000558
Formula
C11H22O
Exact Mass
Calculate m/z
170.167065
Sum Composition
FOH 11:1
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty alcohols [FA05]

String Representations

InChiKey (Click to copy)
JDCKKTBNCHNHRR-BQYQJAHWSA-N
InChi (Click to copy)
InChI=1S/C11H22O/c1-3-4-5-6-7-8-11(2)9-10-12/h7-8,11-12H,3-6,9-10H2,1-2H3/b8-7+
SMILES (Click to copy)
CCCCC/C=C/C(C)CCO

Other Databases

HMDB ID
HMDB0031065
PubChem CID
6428572

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 205.01
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 3.43
Molar Refractivity 54.64

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Created at
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Updated at
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