ethyl 2-cyclohexyl-3-ethoxypropanoate

C13H24O3 — CID 66831061

IUPACethyl 2-cyclohexyl-3-ethoxypropanoate
SMILESCCOCC(C(=O)OCC)C1CCCCC1
InChIInChI=1S/C13H24O3/c1-3-15-10-12(13(14)16-4-2)11-8-6-5-7-9-11/h11-12H,3-10H2,1-2H3
InChIKeyYWRAHYSGNVYCBN-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.78
Rot. Bonds6

About ethyl 2-cyclohexyl-3-ethoxypropanoate

ethyl 2-cyclohexyl-3-ethoxypropanoate (PubChem CID 66831061) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is ethyl 2-cyclohexyl-3-ethoxypropanoate.

Molecular Properties

Compound Nameethyl 2-cyclohexyl-3-ethoxypropanoate
PubChem CID66831061
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Nameethyl 2-cyclohexyl-3-ethoxypropanoate
SMILESCCOCC(C(=O)OCC)C1CCCCC1
InChIInChI=1S/C13H24O3/c1-3-15-10-12(13(14)16-4-2)11-8-6-5-7-9-11/h11-12H,3-10H2,1-2H3
InChIKeyYWRAHYSGNVYCBN-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclohexyl-3-ethoxypropanoate?
The IUPAC name of ethyl 2-cyclohexyl-3-ethoxypropanoate (CID 66831061) is ethyl 2-cyclohexyl-3-ethoxypropanoate.
What is the SMILES notation for ethyl 2-cyclohexyl-3-ethoxypropanoate?
The canonical SMILES for ethyl 2-cyclohexyl-3-ethoxypropanoate is CCOCC(C(=O)OCC)C1CCCCC1.
What is the InChIKey of ethyl 2-cyclohexyl-3-ethoxypropanoate?
The InChIKey is YWRAHYSGNVYCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-3-15-10-12(13(14)16-4-2)11-8-6-5-7-9-11/h11-12H,3-10H2,1-2H3.
What are the key properties of ethyl 2-cyclohexyl-3-ethoxypropanoate?
ethyl 2-cyclohexyl-3-ethoxypropanoate has a molecular weight of 228.33 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclohexyl-3-ethoxypropanoate is sourced from PubChem (CID 66831061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).