propyl 3-(4-ethylcyclohexyl)propanoate

C14H26O2 — CID 59863738

IUPACpropyl 3-(4-ethylcyclohexyl)propanoate
SMILESCCCOC(=O)CCC1CCC(CC)CC1
InChIInChI=1S/C14H26O2/c1-3-11-16-14(15)10-9-13-7-5-12(4-2)6-8-13/h12-13H,3-11H2,1-2H3
InChIKeyQLEVFWMTMRDKLW-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.94
Rot. Bonds6

About propyl 3-(4-ethylcyclohexyl)propanoate

propyl 3-(4-ethylcyclohexyl)propanoate (PubChem CID 59863738) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is propyl 3-(4-ethylcyclohexyl)propanoate.

Molecular Properties

Compound Namepropyl 3-(4-ethylcyclohexyl)propanoate
PubChem CID59863738
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Namepropyl 3-(4-ethylcyclohexyl)propanoate
SMILESCCCOC(=O)CCC1CCC(CC)CC1
InChIInChI=1S/C14H26O2/c1-3-11-16-14(15)10-9-13-7-5-12(4-2)6-8-13/h12-13H,3-11H2,1-2H3
InChIKeyQLEVFWMTMRDKLW-UHFFFAOYSA-N
XLogP3.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze propyl 3-(4-ethylcyclohexyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propyl 3-cyclopentylpropanoate
CID 43389546
2-aminoethyl 3-cyclopropylpropanoate
CID 174465831
tert-butyl 3-(4-ethylcyclohexyl)propanoate
CID 58103664
6-O-(2-cyclohexylethyl) 1-O-propyl hexanedioate
CID 91725827
2-cyclopentylethyl butanoate
CID 142409115
9-cyclopropylnonyl butanoate
CID 21445863
13-cyclopropyltridecyl pentanoate
CID 54121613
9-cyclopropylnonyl hexanoate
CID 21445837
5-cyclopropylpentyl tetradecanoate
CID 21445891
2-piperidin-4-ylethyl butanoate
CID 174737441
methane;propyl butanoate
CID 157187060
3-(butylamino)propyl 3-cyclohexylpropanoate
CID 82532321

Frequently Asked Questions

What is the IUPAC name of propyl 3-(4-ethylcyclohexyl)propanoate?
The IUPAC name of propyl 3-(4-ethylcyclohexyl)propanoate (CID 59863738) is propyl 3-(4-ethylcyclohexyl)propanoate.
What is the SMILES notation for propyl 3-(4-ethylcyclohexyl)propanoate?
The canonical SMILES for propyl 3-(4-ethylcyclohexyl)propanoate is CCCOC(=O)CCC1CCC(CC)CC1.
What is the InChIKey of propyl 3-(4-ethylcyclohexyl)propanoate?
The InChIKey is QLEVFWMTMRDKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-3-11-16-14(15)10-9-13-7-5-12(4-2)6-8-13/h12-13H,3-11H2,1-2H3.
What are the key properties of propyl 3-(4-ethylcyclohexyl)propanoate?
propyl 3-(4-ethylcyclohexyl)propanoate has a molecular weight of 226.36 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-(4-ethylcyclohexyl)propanoate is sourced from PubChem (CID 59863738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).