Structure Database (LMSD)

Common Name
2-Methylpropan-1-ol
Systematic Name
2-Methylpropan-1-ol
Synonyms
LM ID
LMFA05000100
Formula
Exact Mass
Calculate m/z
74.073165
Sum Composition
Status
Active


Classification

Category
Main Class
Sub Class

References

Comments
Pherobase

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

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID

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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Created at
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Updated at
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