Structure Database (LMSD)

Common Name
3S,7S-dimethyl-2-hexadecanol
Systematic Name
3S,7S-dimethyl-2-hexadecanol
Synonyms
  • 3S,7S-dimethyl-hexadecan-2-ol
LM ID
LMFA05000044
Formula
C18H38O
Exact Mass
Calculate m/z
270.292265
Sum Composition
FOH 18:0
Status
Active
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)
SVMAWHNAUKMUBF-BZSNNMDCSA-N
InChi (Click to copy)
InChI=1S/C18H38O/c1-5-6-7-8-9-10-11-13-16(2)14-12-15-17(3)18(4)19/h16-19H,5-15H2,1-4H3/t16-,17-,18-/m0/s1
SMILES (Click to copy)
C(CCCCC)CCC[C@H](C)CCC[C@H](C)[C@@H](O)C

Other Databases

CHEBI ID
187520
PubChem CID
5283294

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 328.75
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 6.24
Molar Refractivity 86.98

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Created at
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Updated at
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