Structure Database (LMSD)

Common Name
10-methyl-1-dodecanol
Systematic Name
10-methyl-1-dodecanol
Synonyms
  • 10-methyl-dodecan-1-ol
LM ID
LMFA05000035
Formula
C13H28O
Exact Mass
Calculate m/z
200.214015
Sum Composition
FOH 13:0
Status
Active
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Classification

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

String Representations

InChiKey (Click to copy)
PVVKVEDVVCORDX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H28O/c1-3-13(2)11-9-7-5-4-6-8-10-12-14/h13-14H,3-12H2,1-2H3
SMILES (Click to copy)
C(C)(CC)CCCCCCCCCO

Other Databases

PubChem CID
5283287

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 242.25
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 4.43
Molar Refractivity 63.97

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Created at
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Updated at
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