4-(2-ethoxy-2-oxoethyl)cyclohexane-1-carboxylic acid

C11H18O4 — CID 18783826

IUPAC4-(2-ethoxy-2-oxoethyl)cyclohexane-1-carboxylic acid
SMILESCCOC(=O)CC1CCC(C(=O)O)CC1
InChIInChI=1S/C11H18O4/c1-2-15-10(12)7-8-3-5-9(6-4-8)11(13)14/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyMHKFPZVBEMBDHC-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.83
Rot. Bonds4

About 4-(2-ethoxy-2-oxoethyl)cyclohexane-1-carboxylic acid

4-(2-ethoxy-2-oxoethyl)cyclohexane-1-carboxylic acid (PubChem CID 18783826) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 4-(2-ethoxy-2-oxoethyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-ethoxy-2-oxoethyl)cyclohexane-1-carboxylic acid
PubChem CID18783826
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name4-(2-ethoxy-2-oxoethyl)cyclohexane-1-carboxylic acid
SMILESCCOC(=O)CC1CCC(C(=O)O)CC1
InChIInChI=1S/C11H18O4/c1-2-15-10(12)7-8-3-5-9(6-4-8)11(13)14/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyMHKFPZVBEMBDHC-UHFFFAOYSA-N
XLogP1.83
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxy-2-oxoethyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2-ethoxy-2-oxoethyl)cyclohexane-1-carboxylic acid (CID 18783826) is 4-(2-ethoxy-2-oxoethyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2-ethoxy-2-oxoethyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2-ethoxy-2-oxoethyl)cyclohexane-1-carboxylic acid is CCOC(=O)CC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(2-ethoxy-2-oxoethyl)cyclohexane-1-carboxylic acid?
The InChIKey is MHKFPZVBEMBDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-2-15-10(12)7-8-3-5-9(6-4-8)11(13)14/h8-9H,2-7H2,1H3,(H,13,14).
What are the key properties of 4-(2-ethoxy-2-oxoethyl)cyclohexane-1-carboxylic acid?
4-(2-ethoxy-2-oxoethyl)cyclohexane-1-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxy-2-oxoethyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 18783826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).