Structure Database (LMSD)
Common Name
3-Methyl-2-buten-1-ol
Systematic Name
3-Methyl-2-buten-1-ol
Synonyms
3D model of 3-Methyl-2-buten-1-ol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
ASUAYTHWZCLXAN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3
SMILES (Click to copy)
OC/C=C(\C)/C
References
Comments
Pherobase
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
PDB ID
Calculated Physicochemical Properties
Heavy Atoms
6
Rings
0
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
101.21
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
1.23
Molar Refractivity
27.01
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Created at
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Updated at
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