Molecule

ID:119535

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄O
Molecular Mass
126.19616
Exact Mass
126.10446507
Charge
0
InChI
InChI=1S/C8H14O/c1-7(2)6-8(3)4-5-9/h4-5,7H,6H2,1-3H3/b8-4-
InChIKey
FYCVUMXOMJHAEM-YWEYNIOJSA-N
Canonic Smiles
O=C/C=C(\CC(C)C)/C
Isomeric Smiles
C(=C\C=O)(\CC(C)C)/C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1804838
LogD (pH = 7.4)
2.1804838
Log P
2.1804838
Molar Refractivity
40.0721
Polarizability
15.305483
Polar Surface Area
17.07
Rotatable Bonds
3
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
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References
Bioactivity
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