Structure Database (LMSD)

Common Name
3,7-Dimethyldecane
Systematic Name
3,7-Dimethyldecane
Synonyms
LM ID
LMFA11000382
Formula
C12H26
Exact Mass
Calculate m/z
170.20345
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
VDAVEASVPZDNQB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H26/c1-5-8-12(4)10-7-9-11(3)6-2/h11-12H,5-10H2,1-4H3
SMILES (Click to copy)
CCC(C)CCCC(C)CCC

Other Databases

CHEBI ID
183292
PubChem CID
28468

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 216.16
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 4.64
Molar Refractivity 57.38

Admin

Created at
-
Updated at
-