Structure Database (LMSD)
Common Name
(S)-3-Octanol
Systematic Name
octan-3-ol
Synonyms
3D model of (S)-3-Octanol
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)
NMRPBPVERJPACX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3
SMILES (Click to copy)
CCCCCC(CC)O
References
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
155.75
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
2.62
Molar Refractivity
40.95
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Created at
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Updated at
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