Molecule

ID:74442

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈O
Molecular Mass
130.22792
Exact Mass
130.1357652
Charge
0
InChI
InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3
InChIKey
NMRPBPVERJPACX-UHFFFAOYSA-N
Canonic Smiles
CCCCCC(CC)O
Isomeric Smiles
OC(CC)CCCCC
Calculated Properties
JChem
LogD (pH = 7.4)
2.63
LogD (pH = 5.5)
2.63
Log P
2.63
Rotatable Bonds
5
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-1.38
Polar Surface Area
20.23
Polarizability
17.16
Molar Refractivity
40.28
LOG S
-2.10
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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