Structure Database (LMSD)

Common Name
2,6-Dimethyl-6-hepten-1-ol
Systematic Name
2,6-dimethylhept-6-en-1-ol
Synonyms
LM ID
LMFA05000609
Formula
C9H18O
Exact Mass
Calculate m/z
142.135765
Sum Composition
FOH 9:1
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)
GUIBQTSZYLPXBH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H18O/c1-8(2)5-4-6-9(3)7-10/h9-10H,1,4-7H2,2-3H3
SMILES (Click to copy)
C(C(=C)C)CCC(CO)C

Other Databases

HMDB ID
HMDB0037304
CHEBI ID
179606
PubChem CID
169818

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 170.41
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 2.65
Molar Refractivity 45.40

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Created at
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Updated at
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