Structure Database (LMSD)

Common Name
1-Heptene
Systematic Name
1-Heptene
Synonyms
LM ID
LMFA11000319
Formula
C7H14
Exact Mass
Calculate m/z
98.10955
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Hydrocarbons [FA11]

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
ZGEGCLOFRBLKSE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3
SMILES (Click to copy)
C=CCCCCC

Other Databases

CHEBI ID
186747
PubChem CID
11610

Calculated Physicochemical Properties

Heavy Atoms 7
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 127.02
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 2.75
Molar Refractivity 34.34

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Created at
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Updated at
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