2-(2-prop-2-enoyloxyethoxycarbonyl)cyclopentene-1-carboxylic acid

C12H14O6 — CID 58454404

IUPAC2-(2-prop-2-enoyloxyethoxycarbonyl)cyclopentene-1-carboxylic acid
SMILESC=CC(=O)OCCOC(=O)C1=C(C(=O)O)CCC1
InChIInChI=1S/C12H14O6/c1-2-10(13)17-6-7-18-12(16)9-5-3-4-8(9)11(14)15/h2H,1,3-7H2,(H,14,15)
InChIKeyZWWCRDJYSRBNLG-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.82
Rot. Bonds6

About 2-(2-prop-2-enoyloxyethoxycarbonyl)cyclopentene-1-carboxylic acid

2-(2-prop-2-enoyloxyethoxycarbonyl)cyclopentene-1-carboxylic acid (PubChem CID 58454404) has the molecular formula C12H14O6 and a molecular weight of 254.24 g/mol. Its IUPAC name is 2-(2-prop-2-enoyloxyethoxycarbonyl)cyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-prop-2-enoyloxyethoxycarbonyl)cyclopentene-1-carboxylic acid
PubChem CID58454404
Molecular FormulaC12H14O6
Molecular Weight254.24 g/mol
Exact Mass254.08
IUPAC Name2-(2-prop-2-enoyloxyethoxycarbonyl)cyclopentene-1-carboxylic acid
SMILESC=CC(=O)OCCOC(=O)C1=C(C(=O)O)CCC1
InChIInChI=1S/C12H14O6/c1-2-10(13)17-6-7-18-12(16)9-5-3-4-8(9)11(14)15/h2H,1,3-7H2,(H,14,15)
InChIKeyZWWCRDJYSRBNLG-UHFFFAOYSA-N
XLogP0.82
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(4-(2-prop-2-enoyloxyethoxycarbonyl)benzoic acid);zinc
CID 59502826
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162086806
cyclobutene-1,2-dicarboxylic acid;prop-2-enamide
CID 88706863
2-prop-2-enoyloxyethyl 3-phenylprop-2-enoate
CID 53424506
2-(2-prop-2-enoyloxyethoxy)benzoic acid
CID 18974630
bis[(E)-hept-3-enyl] cyclohexene-1,2-dicarboxylate
CID 101305814
2-prop-2-enoyloxyethyl 3-chloro-4-methylbenzoate
CID 58004892
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl prop-2-enoate
CID 135130326
azanium 2-(2-prop-2-enoyloxyethoxycarbonyl)benzoate
CID 172770687
2-(2-hydroxyethyl)-3-(2-prop-2-enoyloxyethyl)terephthalic acid
CID 140978667
2-(4-prop-2-enoyloxybutoxycarbonyl)benzoic acid;triethylazanium
CID 159862866

Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-2-enoyloxyethoxycarbonyl)cyclopentene-1-carboxylic acid?
The IUPAC name of 2-(2-prop-2-enoyloxyethoxycarbonyl)cyclopentene-1-carboxylic acid (CID 58454404) is 2-(2-prop-2-enoyloxyethoxycarbonyl)cyclopentene-1-carboxylic acid.
What is the SMILES notation for 2-(2-prop-2-enoyloxyethoxycarbonyl)cyclopentene-1-carboxylic acid?
The canonical SMILES for 2-(2-prop-2-enoyloxyethoxycarbonyl)cyclopentene-1-carboxylic acid is C=CC(=O)OCCOC(=O)C1=C(C(=O)O)CCC1.
What is the InChIKey of 2-(2-prop-2-enoyloxyethoxycarbonyl)cyclopentene-1-carboxylic acid?
The InChIKey is ZWWCRDJYSRBNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O6/c1-2-10(13)17-6-7-18-12(16)9-5-3-4-8(9)11(14)15/h2H,1,3-7H2,(H,14,15).
What are the key properties of 2-(2-prop-2-enoyloxyethoxycarbonyl)cyclopentene-1-carboxylic acid?
2-(2-prop-2-enoyloxyethoxycarbonyl)cyclopentene-1-carboxylic acid has a molecular weight of 254.24 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enoyloxyethoxycarbonyl)cyclopentene-1-carboxylic acid is sourced from PubChem (CID 58454404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).