ethyl 2-cyclohexyl-2-(ethoxymethyl)butanoate

C15H28O3 — CID 139783133

IUPACethyl 2-cyclohexyl-2-(ethoxymethyl)butanoate
SMILESCCOCC(CC)(C(=O)OCC)C1CCCCC1
InChIInChI=1S/C15H28O3/c1-4-15(12-17-5-2,14(16)18-6-3)13-10-8-7-9-11-13/h13H,4-12H2,1-3H3
InChIKeyCRCAICOPQBOSPO-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.56
Rot. Bonds7

About ethyl 2-cyclohexyl-2-(ethoxymethyl)butanoate

ethyl 2-cyclohexyl-2-(ethoxymethyl)butanoate (PubChem CID 139783133) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is ethyl 2-cyclohexyl-2-(ethoxymethyl)butanoate.

Molecular Properties

Compound Nameethyl 2-cyclohexyl-2-(ethoxymethyl)butanoate
PubChem CID139783133
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Nameethyl 2-cyclohexyl-2-(ethoxymethyl)butanoate
SMILESCCOCC(CC)(C(=O)OCC)C1CCCCC1
InChIInChI=1S/C15H28O3/c1-4-15(12-17-5-2,14(16)18-6-3)13-10-8-7-9-11-13/h13H,4-12H2,1-3H3
InChIKeyCRCAICOPQBOSPO-UHFFFAOYSA-N
XLogP3.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-cyclohexyl-2-ethoxypropanoate
CID 141274224
diethyl 2-cyclohexyl-2-methoxypropanedioate
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ethyl (2R)-2-cyclohexyl-2-hydroxypropanoate
CID 97047914
ethyl 2-cyclohexyl-3,3,3-trifluoro-2-hydroxypropanoate
CID 12060177
2-cycloheptyl-3-ethoxy-2-methyl-3-oxopropanoic acid
CID 103973885
2-cyclopentyl-3-ethoxy-2-methyl-3-oxopropanoic acid
CID 103973903
2-cyclohexyl-2,2-difluoroacetamide;ethyl 2-cyclohexyl-2,2-difluoroacetate
CID 158104512
ethyl 2,2,3-triethoxypropanoate
CID 175005029
diethyl 2-cyclopentyl-2-(2-methylpropyl)propanedioate
CID 70189214
2-(2-cyclohexyl-1-ethoxy-1-oxobutan-2-yl)-4-methylpent-2-enoic acid
CID 70869575
diethyl 2-cyclohexyl-3-methyl-2-(2-methylpropyl)butanedioate
CID 174616353
ethyl 2-cyano-2-cyclohexylpent-4-ynoate
CID 11673095

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclohexyl-2-(ethoxymethyl)butanoate?
The IUPAC name of ethyl 2-cyclohexyl-2-(ethoxymethyl)butanoate (CID 139783133) is ethyl 2-cyclohexyl-2-(ethoxymethyl)butanoate.
What is the SMILES notation for ethyl 2-cyclohexyl-2-(ethoxymethyl)butanoate?
The canonical SMILES for ethyl 2-cyclohexyl-2-(ethoxymethyl)butanoate is CCOCC(CC)(C(=O)OCC)C1CCCCC1.
What is the InChIKey of ethyl 2-cyclohexyl-2-(ethoxymethyl)butanoate?
The InChIKey is CRCAICOPQBOSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-4-15(12-17-5-2,14(16)18-6-3)13-10-8-7-9-11-13/h13H,4-12H2,1-3H3.
What are the key properties of ethyl 2-cyclohexyl-2-(ethoxymethyl)butanoate?
ethyl 2-cyclohexyl-2-(ethoxymethyl)butanoate has a molecular weight of 256.39 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclohexyl-2-(ethoxymethyl)butanoate is sourced from PubChem (CID 139783133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).