Molecule

ID:92325

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄O
Molecular Mass
126.19616
Exact Mass
126.10446507
Charge
0
InChI
InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h2,8-9H,3,5-7H2,1H3
InChIKey
VUGRNZHKYVHZSN-UHFFFAOYSA-N
Canonic Smiles
CCCCCC(C#C)O
Isomeric Smiles
OC(CCCCC)C#C
Calculated Properties
JChem
Acid pKa
15.049079
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.9823093
LogD (pH = 7.4)
1.9823093
Log P
1.9823093
Molar Refractivity
38.5873
Polarizability
14.989166
Polar Surface Area
20.23
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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