ethyl 2-cyclohexyl-2-ethoxypropanoate

C13H24O3 — CID 141274224

IUPACethyl 2-cyclohexyl-2-ethoxypropanoate
SMILESCCOC(=O)C(C)(OCC)C1CCCCC1
InChIInChI=1S/C13H24O3/c1-4-15-12(14)13(3,16-5-2)11-9-7-6-8-10-11/h11H,4-10H2,1-3H3
InChIKeyRSGUVPUIWOCIDI-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.92
Rot. Bonds5

About ethyl 2-cyclohexyl-2-ethoxypropanoate

ethyl 2-cyclohexyl-2-ethoxypropanoate (PubChem CID 141274224) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is ethyl 2-cyclohexyl-2-ethoxypropanoate.

Molecular Properties

Compound Nameethyl 2-cyclohexyl-2-ethoxypropanoate
PubChem CID141274224
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Nameethyl 2-cyclohexyl-2-ethoxypropanoate
SMILESCCOC(=O)C(C)(OCC)C1CCCCC1
InChIInChI=1S/C13H24O3/c1-4-15-12(14)13(3,16-5-2)11-9-7-6-8-10-11/h11H,4-10H2,1-3H3
InChIKeyRSGUVPUIWOCIDI-UHFFFAOYSA-N
XLogP2.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

ethyl (2R)-2-cyclohexyl-2-hydroxypropanoate
CID 97047914
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diethyl 2-cyclohexyl-2-methoxypropanedioate
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2-cyclopentyl-3-ethoxy-2-methyl-3-oxopropanoic acid
CID 103973903
ethyl 2-cyclohexyl-3,3,3-trifluoro-2-hydroxypropanoate
CID 12060177
ethyl 2-cyclohexyl-2-(ethoxymethyl)butanoate
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ethyl 2-(2-hydroxycyclohexyl)-2-methylpropanoate
CID 165348974
2-cyclohexyl-2,2-difluoroacetamide;ethyl 2-cyclohexyl-2,2-difluoroacetate
CID 158104512
ethyl 2-cyclohexyl-2-(prop-2-ynylamino)propanoate
CID 63323924
ethyl 3-cyclohexyl-3-(ethylamino)butanoate
CID 65234163
ethyl 2-(cyclopentylamino)-2-methylbutanoate
CID 60997455
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CID 70189214

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclohexyl-2-ethoxypropanoate?
The IUPAC name of ethyl 2-cyclohexyl-2-ethoxypropanoate (CID 141274224) is ethyl 2-cyclohexyl-2-ethoxypropanoate.
What is the SMILES notation for ethyl 2-cyclohexyl-2-ethoxypropanoate?
The canonical SMILES for ethyl 2-cyclohexyl-2-ethoxypropanoate is CCOC(=O)C(C)(OCC)C1CCCCC1.
What is the InChIKey of ethyl 2-cyclohexyl-2-ethoxypropanoate?
The InChIKey is RSGUVPUIWOCIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-4-15-12(14)13(3,16-5-2)11-9-7-6-8-10-11/h11H,4-10H2,1-3H3.
What are the key properties of ethyl 2-cyclohexyl-2-ethoxypropanoate?
ethyl 2-cyclohexyl-2-ethoxypropanoate has a molecular weight of 228.33 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclohexyl-2-ethoxypropanoate is sourced from PubChem (CID 141274224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).