Structure Database (LMSD)

Common Name
3-methyl-6-(1-methyl-ethyl)-3,9-decadien-1-ol
Systematic Name
3-methyl-6-(1-methyl-ethyl)-3,9-decadien-1-ol
Synonyms
  • 3-methyl-6-(1-methyl-ethyl)-deca-3,9-dien-1-ol
LM ID
LMFA05000032
Formula
C14H26O
Exact Mass
Calculate m/z
210.198365
Sum Composition
FOH 14:2
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

String Representations

InChiKey (Click to copy)
IACZATYFQLYZJM-MDWZMJQESA-N
InChi (Click to copy)
InChI=1S/C14H26O/c1-5-6-7-14(12(2)3)9-8-13(4)10-11-15/h5,8,12,14-15H,1,6-7,9-11H2,2-4H3/b13-8+
SMILES (Click to copy)
C=CCCC(C(C)C)C/C=C(\C)/CCO

Other Databases

CHEBI ID
179496
PubChem CID
5283284

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 254.27
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 4.23
Molar Refractivity 68.33

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Created at
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Updated at
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