Molecule

ID:112625

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₆O
Molecular Mass
210.35564
Exact Mass
210.19836545
Charge
0
InChI
InChI=1S/C14H26O/c1-7-14(6,15)13(10-12(4)5)9-8-11(2)3/h7-8,12-13,15H,1,9-10H2,2-6H3
InChIKey
MPNATCQFXQLKBR-UHFFFAOYSA-N
Canonic Smiles
C=CC(C(CC(C)C)CC=C(C)C)(O)C
Isomeric Smiles
CC(C)CC(CC=C(C)C)C(C)(O)C=C
Calculated Properties
JChem
Acid pKa
19.178043
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.1886215
LogD (pH = 7.4)
4.1886215
Log P
4.1886215
Molar Refractivity
68.4288
Polarizability
26.701708
Polar Surface Area
20.23
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation