Molecule
ID:119669
General Information
Molecular Formula
C₁₅H₂₄O
Molecular Mass
220.35046
Exact Mass
220.18271539
Charge
0
InChI
InChI=1S/C15H24O/c1-12(2)6-8-15(9-7-13(3)4)14(5)10-11-16/h6-7,10-11,15H,8-9H2,1-5H3/b14-10+
InChIKey
FCTUUDRIJRIQDN-GXDHUFHOSA-N
Canonic Smiles
O=C/C=C(/C(CC=C(C)C)CC=C(C)C)\C
Isomeric Smiles
C(=C\C=O)(/C(CC=C(C)C)CC=C(C)C)\C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.1662064
LogD (pH = 7.4)
4.1662064
Log P
4.1662064
Molar Refractivity
73.8743
Polarizability
27.764263
Polar Surface Area
17.07
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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