2-(2-ethoxy-2-oxoethylidene)cyclohexane-1-carboxylic acid

C11H16O4 — CID 137371720

IUPAC2-(2-ethoxy-2-oxoethylidene)cyclohexane-1-carboxylic acid
SMILESCCOC(=O)C=C1CCCCC1C(=O)O
InChIInChI=1S/C11H16O4/c1-2-15-10(12)7-8-5-3-4-6-9(8)11(13)14/h7,9H,2-6H2,1H3,(H,13,14)
InChIKeyUJEWMFIHMHSXEK-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.75
Rot. Bonds3

About 2-(2-ethoxy-2-oxoethylidene)cyclohexane-1-carboxylic acid

2-(2-ethoxy-2-oxoethylidene)cyclohexane-1-carboxylic acid (PubChem CID 137371720) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 2-(2-ethoxy-2-oxoethylidene)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethoxy-2-oxoethylidene)cyclohexane-1-carboxylic acid
PubChem CID137371720
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name2-(2-ethoxy-2-oxoethylidene)cyclohexane-1-carboxylic acid
SMILESCCOC(=O)C=C1CCCCC1C(=O)O
InChIInChI=1S/C11H16O4/c1-2-15-10(12)7-8-5-3-4-6-9(8)11(13)14/h7,9H,2-6H2,1H3,(H,13,14)
InChIKeyUJEWMFIHMHSXEK-UHFFFAOYSA-N
XLogP1.75
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (2E)-2-[(2E)-2-(2-ethoxy-2-oxoethylidene)cyclohexylidene]acetate
CID 10944902
2-ethylidenecyclohexane-1-carboxylic acid
CID 57189544
ethyl (2Z)-2-(2-tert-butylcyclopentylidene)acetate
CID 165488646
ethyl (2E)-2-[2-(4-methylphenoxy)cyclohexylidene]acetate
CID 11097752
ethyl (2E)-2-[(2Z)-2-(2-ethoxy-2-oxoethylidene)cyclopentylidene]acetate
CID 177463101
ethyl (2E)-2-[(1S,6S)-7-bicyclo[4.2.0]octanylidene]acetate
CID 59077267
ethyl (2E)-2-[2-(4-methoxyphenyl)cyclohexylidene]acetate
CID 66651995
methyl 2-(2-prop-1-en-2-ylcyclohexylidene)acetate
CID 71335111
ethyl 2-cyclobutylideneacetate
CID 15724666
ethyl (2E)-2-(2-prop-2-enyloxan-3-ylidene)acetate
CID 15416620
ethyl 2-[(1R,2Z)-2-ethylidenecyclohexyl]acetate
CID 177482165
ethyl 2-[(1R,5S)-3-bicyclo[3.2.0]heptanylidene]acetate
CID 59093977

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-2-oxoethylidene)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2-ethoxy-2-oxoethylidene)cyclohexane-1-carboxylic acid (CID 137371720) is 2-(2-ethoxy-2-oxoethylidene)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2-ethoxy-2-oxoethylidene)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2-ethoxy-2-oxoethylidene)cyclohexane-1-carboxylic acid is CCOC(=O)C=C1CCCCC1C(=O)O.
What is the InChIKey of 2-(2-ethoxy-2-oxoethylidene)cyclohexane-1-carboxylic acid?
The InChIKey is UJEWMFIHMHSXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-2-15-10(12)7-8-5-3-4-6-9(8)11(13)14/h7,9H,2-6H2,1H3,(H,13,14).
What are the key properties of 2-(2-ethoxy-2-oxoethylidene)cyclohexane-1-carboxylic acid?
2-(2-ethoxy-2-oxoethylidene)cyclohexane-1-carboxylic acid has a molecular weight of 212.24 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-2-oxoethylidene)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 137371720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).