Structure Database (LMSD)

Common Name
3S,7S-dimethyl-2S-tetradecanol
Systematic Name
3S,7S-dimethyl-2S-tetradecanol
Synonyms
  • 3S,7S-dimethyl-tetradecan-2S-ol
LM ID
LMFA05000038
Formula
C16H34O
Exact Mass
Calculate m/z
242.260965
Sum Composition
FOH 16:0
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)
JTZIYJDXBDDKLA-JYJNAYRXSA-N
InChi (Click to copy)
InChI=1S/C16H34O/c1-5-6-7-8-9-11-14(2)12-10-13-15(3)16(4)17/h14-17H,5-13H2,1-4H3/t14-,15-,16-/m0/s1
SMILES (Click to copy)
C(CCC)CCC[C@H](C)CCC[C@H](C)[C@@H](O)C

Other Databases

CHEBI ID
187446
PubChem CID
5283289

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 294.15
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 5.46
Molar Refractivity 77.75

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Updated at
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