1-(1-prop-2-enoyloxyethyl)cyclohexane-1,2-dicarboxylic acid

C13H18O6 — CID 23026239

IUPAC1-(1-prop-2-enoyloxyethyl)cyclohexane-1,2-dicarboxylic acid
SMILESC=CC(=O)OC(C)C1(C(=O)O)CCCCC1C(=O)O
InChIInChI=1S/C13H18O6/c1-3-10(14)19-8(2)13(12(17)18)7-5-4-6-9(13)11(15)16/h3,8-9H,1,4-7H2,2H3,(H,15,16)(H,17,18)
InChIKeyUHFGEDZBOGSDHT-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.45
Rot. Bonds5

About 1-(1-prop-2-enoyloxyethyl)cyclohexane-1,2-dicarboxylic acid

1-(1-prop-2-enoyloxyethyl)cyclohexane-1,2-dicarboxylic acid (PubChem CID 23026239) has the molecular formula C13H18O6 and a molecular weight of 270.28 g/mol. Its IUPAC name is 1-(1-prop-2-enoyloxyethyl)cyclohexane-1,2-dicarboxylic acid.

Molecular Properties

Compound Name1-(1-prop-2-enoyloxyethyl)cyclohexane-1,2-dicarboxylic acid
PubChem CID23026239
Molecular FormulaC13H18O6
Molecular Weight270.28 g/mol
Exact Mass270.11
IUPAC Name1-(1-prop-2-enoyloxyethyl)cyclohexane-1,2-dicarboxylic acid
SMILESC=CC(=O)OC(C)C1(C(=O)O)CCCCC1C(=O)O
InChIInChI=1S/C13H18O6/c1-3-10(14)19-8(2)13(12(17)18)7-5-4-6-9(13)11(15)16/h3,8-9H,1,4-7H2,2H3,(H,15,16)(H,17,18)
InChIKeyUHFGEDZBOGSDHT-UHFFFAOYSA-N
XLogP1.45
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-prop-2-enoyloxyethyl)cyclohexane-1,2-dicarboxylic acid?
The IUPAC name of 1-(1-prop-2-enoyloxyethyl)cyclohexane-1,2-dicarboxylic acid (CID 23026239) is 1-(1-prop-2-enoyloxyethyl)cyclohexane-1,2-dicarboxylic acid.
What is the SMILES notation for 1-(1-prop-2-enoyloxyethyl)cyclohexane-1,2-dicarboxylic acid?
The canonical SMILES for 1-(1-prop-2-enoyloxyethyl)cyclohexane-1,2-dicarboxylic acid is C=CC(=O)OC(C)C1(C(=O)O)CCCCC1C(=O)O.
What is the InChIKey of 1-(1-prop-2-enoyloxyethyl)cyclohexane-1,2-dicarboxylic acid?
The InChIKey is UHFGEDZBOGSDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O6/c1-3-10(14)19-8(2)13(12(17)18)7-5-4-6-9(13)11(15)16/h3,8-9H,1,4-7H2,2H3,(H,15,16)(H,17,18).
What are the key properties of 1-(1-prop-2-enoyloxyethyl)cyclohexane-1,2-dicarboxylic acid?
1-(1-prop-2-enoyloxyethyl)cyclohexane-1,2-dicarboxylic acid has a molecular weight of 270.28 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-prop-2-enoyloxyethyl)cyclohexane-1,2-dicarboxylic acid is sourced from PubChem (CID 23026239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).