Structure Database (LMSD)

Common Name
trans-2-trans-4-Heptadien-1-ol
Systematic Name
hepta-2,4-dien-1-ol
Synonyms
LM ID
LMFA05000701
Formula
C7H12O
Exact Mass
Calculate m/z
112.088815
Sum Composition
FOH 7:2
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)
MDRZSADXFOPYOC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h3-6,8H,2,7H2,1H3
SMILES (Click to copy)
OCC=CC=CCC

Other Databases

HMDB ID
HMDB32301
PubChem CID
5367391

Calculated Physicochemical Properties

Heavy Atoms 8
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 133.17
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 1.79
Molar Refractivity 36.15

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Updated at
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