Structure Database (LMSD)

Common Name
2,4-Dimethyl-5-hepten-1-ol
Systematic Name
2,4-Dimethyl-5-hepten-1-ol
Synonyms
LM ID
LMFA05000121
Formula
C9H18O
Exact Mass
Calculate m/z
142.135765
Sum Composition
FOH 9:1
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Comments
Pherobase

String Representations

InChiKey (Click to copy)
JYALGRAVJMEMPU-SNAWJCMRSA-N
InChi (Click to copy)
InChI=1S/C9H18O/c1-4-5-8(2)6-9(3)7-10/h4-5,8-10H,6-7H2,1-3H3/b5-4+
SMILES (Click to copy)
OCC(C)CC(C)/C=C/C

Other Databases

CHEBI ID
179610
PubChem CID
44256515

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 170.41
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 2.50
Molar Refractivity 45.33

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Created at
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Updated at
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