Structure Database (LMSD)
Common Name
3-methyl-3-Pentanol
Systematic Name
3-methyl-3-Pentanol
Synonyms
3D model of 3-methyl-3-Pentanol
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)
FRDAATYAJDYRNW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H14O/c1-4-6(3,7)5-2/h7H,4-5H2,1-3H3
SMILES (Click to copy)
C(C)C(C)(O)CC
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Nostoc sp.
(#1180)
Cyanophyceae
(#3028117)
Separation and identification of hydrocarbons and other volatile compounds from cultured blue-green alga Nostoc sp. by gas chromatography-mass spectrometry using serially coupled capillary columns with consecutive nonpolar and semipolar stationary phases.,
J Chromatogr A, 1999
J Chromatogr A, 1999
Pubmed ID:
10596980
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
7
Rings
0
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
121.15
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
1.84
Molar Refractivity
31.72
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Updated at
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