Structure Database (LMSD)

Common Name
1-decanol
Systematic Name
1-decanol
Synonyms
LM ID
LMFA05000062
Formula
C10H22O
Exact Mass
Calculate m/z
158.167065
Sum Composition
FOH 10:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

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

String Representations

InChiKey (Click to copy)
MWKFXSUHUHTGQN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3
SMILES (Click to copy)
C(CCCCO)CCCCC

Other Databases

Wikipedia
1-decanol
KEGG ID
C01633
HMDB ID
HMDB0011624
CHEBI ID
28903
PubChem CID
8174
PDB ID
DE1

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 190.35
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 3.40
Molar Refractivity 50.19

Admin

Created at
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Updated at
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