ethyl 2-(cyclohexylmethoxy)butanoate

C13H24O3 — CID 64662661

IUPACethyl 2-(cyclohexylmethoxy)butanoate
SMILESCCOC(=O)C(CC)OCC1CCCCC1
InChIInChI=1S/C13H24O3/c1-3-12(13(14)15-4-2)16-10-11-8-6-5-7-9-11/h11-12H,3-10H2,1-2H3
InChIKeyNMDUCHSTSVVJEQ-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.92
Rot. Bonds6

About ethyl 2-(cyclohexylmethoxy)butanoate

ethyl 2-(cyclohexylmethoxy)butanoate (PubChem CID 64662661) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is ethyl 2-(cyclohexylmethoxy)butanoate.

Molecular Properties

Compound Nameethyl 2-(cyclohexylmethoxy)butanoate
PubChem CID64662661
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Nameethyl 2-(cyclohexylmethoxy)butanoate
SMILESCCOC(=O)C(CC)OCC1CCCCC1
InChIInChI=1S/C13H24O3/c1-3-12(13(14)15-4-2)16-10-11-8-6-5-7-9-11/h11-12H,3-10H2,1-2H3
InChIKeyNMDUCHSTSVVJEQ-UHFFFAOYSA-N
XLogP2.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(cyclohexylmethoxy)butanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclohexylmethoxy)butanoate?
The IUPAC name of ethyl 2-(cyclohexylmethoxy)butanoate (CID 64662661) is ethyl 2-(cyclohexylmethoxy)butanoate.
What is the SMILES notation for ethyl 2-(cyclohexylmethoxy)butanoate?
The canonical SMILES for ethyl 2-(cyclohexylmethoxy)butanoate is CCOC(=O)C(CC)OCC1CCCCC1.
What is the InChIKey of ethyl 2-(cyclohexylmethoxy)butanoate?
The InChIKey is NMDUCHSTSVVJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-3-12(13(14)15-4-2)16-10-11-8-6-5-7-9-11/h11-12H,3-10H2,1-2H3.
What are the key properties of ethyl 2-(cyclohexylmethoxy)butanoate?
ethyl 2-(cyclohexylmethoxy)butanoate has a molecular weight of 228.33 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclohexylmethoxy)butanoate is sourced from PubChem (CID 64662661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).