(2-ethoxy-2-oxoethyl) 2-cyclohexylpropanoate

C13H22O4 — CID 68576140

IUPAC(2-ethoxy-2-oxoethyl) 2-cyclohexylpropanoate
SMILESCCOC(=O)COC(=O)C(C)C1CCCCC1
InChIInChI=1S/C13H22O4/c1-3-16-12(14)9-17-13(15)10(2)11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3
InChIKeyRZMYWFNMHVTNLI-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.31
Rot. Bonds5

About (2-ethoxy-2-oxoethyl) 2-cyclohexylpropanoate

(2-ethoxy-2-oxoethyl) 2-cyclohexylpropanoate (PubChem CID 68576140) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is (2-ethoxy-2-oxoethyl) 2-cyclohexylpropanoate.

Molecular Properties

Compound Name(2-ethoxy-2-oxoethyl) 2-cyclohexylpropanoate
PubChem CID68576140
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name(2-ethoxy-2-oxoethyl) 2-cyclohexylpropanoate
SMILESCCOC(=O)COC(=O)C(C)C1CCCCC1
InChIInChI=1S/C13H22O4/c1-3-16-12(14)9-17-13(15)10(2)11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3
InChIKeyRZMYWFNMHVTNLI-UHFFFAOYSA-N
XLogP2.31
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-cyclopentylpropanoate
CID 10654733
2-cyclohexylpropanoyl 2-cyclohexylpropanoate
CID 88630041
ethyl 2-[[(1S)-1-cyclohexylethyl]amino]acetate
CID 81385124
ethyl 3-[[(1R)-1-cycloheptylethyl]amino]butanoate
CID 81391748
diethyl 2-cyclohexyl-3-cyclopentylbutanedioate
CID 22241844
ethyl 2-propan-2-yloxyacetate
CID 537908
ethyl 3-cyclopropylbutanoate
CID 47078610
ethyl (2R)-3-amino-2-cyclohexylpropanoate
CID 86315774
ethyl 2-(2-propan-2-ylcyclohexyl)acetate
CID 58689217
ethyl 2-cyclohexyl-4-hydroxypentanoate
CID 10466333
diethyl 2-cyclohexyloxybutanedioate
CID 139989318
ethyl 4-(1-cyclobutylethylamino)-3-hydroxybutanoate
CID 103268251

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-oxoethyl) 2-cyclohexylpropanoate?
The IUPAC name of (2-ethoxy-2-oxoethyl) 2-cyclohexylpropanoate (CID 68576140) is (2-ethoxy-2-oxoethyl) 2-cyclohexylpropanoate.
What is the SMILES notation for (2-ethoxy-2-oxoethyl) 2-cyclohexylpropanoate?
The canonical SMILES for (2-ethoxy-2-oxoethyl) 2-cyclohexylpropanoate is CCOC(=O)COC(=O)C(C)C1CCCCC1.
What is the InChIKey of (2-ethoxy-2-oxoethyl) 2-cyclohexylpropanoate?
The InChIKey is RZMYWFNMHVTNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4/c1-3-16-12(14)9-17-13(15)10(2)11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3.
What are the key properties of (2-ethoxy-2-oxoethyl) 2-cyclohexylpropanoate?
(2-ethoxy-2-oxoethyl) 2-cyclohexylpropanoate has a molecular weight of 242.31 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-oxoethyl) 2-cyclohexylpropanoate is sourced from PubChem (CID 68576140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).