Molecule

ID:77283

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂O
Molecular Mass
88.14818
Exact Mass
88.088815
Charge
0
InChI
InChI=1S/C5H12O/c1-4-5(2)6-3/h5H,4H2,1-3H3
InChIKey
FVNIMHIOIXPIQT-UHFFFAOYSA-N
Canonic Smiles
CCC(OC)C
Isomeric Smiles
O(C(C)CC)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.4204549
LogD (pH = 7.4)
1.4204549
Log P
1.4204549
Molar Refractivity
26.7039
Polarizability
10.631582
Polar Surface Area
9.23
Rotatable Bonds
2
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