Structure Database (LMSD)

Common Name
2-Methylpropan-1-ol
Systematic Name
2-Methylpropan-1-ol
Synonyms
LM ID
LMFA05000100
Status
Active
Exact Mass
Calculate m/z
74.073165
Formula
C4H10O
Abbrev
FOH 4:0
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

String Representations

InChiKey (Click to copy)
ZXEKIIBDNHEJCQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3
SMILES (Click to copy)
OCC(C)C

References

Comments
Pherobase

Other Databases

KEGG ID
C14710
HMDB ID
HMDB0006006
CHEBI ID
46645
PubChem CID
6560

Calculated Physicochemical Properties

Heavy Atoms 5
Rings 0
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 86.55
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 0.92
Molar Refractivity 22.41

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Updated at
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