Structure Database (LMSD)
Common Name
2-Methylpropan-1-ol
Systematic Name
2-Methylpropan-1-ol
Synonyms
3D model of 2-Methylpropan-1-ol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
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
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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