Molecule

ID:132077

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₆O₂
Molecular Mass
308.49864
Exact Mass
308.27153039
Charge
0
InChI
InChI=1S/2C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11;1-8(2)9-4-6-10(3,11)7-5-9/h4,9,11H,5-7H2,1-3H3;9,11H,1,4-7H2,2-3H3
InChIKey
MGABGZGUMNDCSN-UHFFFAOYSA-N
Canonic Smiles
CC(=C)C1CCC(CC1)(C)O.CC1=CCC(CC1)C(O)(C)C
Isomeric Smiles
CC1=CCC(CC1)C(C)(C)O.CC(=C)C1CCC(CC1)(C)O
Calculated Properties
JChem
Acid pKa
19.402267
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.1742973
LogD (pH = 7.4)
2.1742976
Log P
2.1742976
Molar Refractivity
48.4619
Polarizability
18.809866
Polar Surface Area
20.23
Rotatable Bonds
2
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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