1-prop-2-enylcyclohexane-1,2-dicarboxylic acid

C11H16O4 — CID 54321142

IUPAC1-prop-2-enylcyclohexane-1,2-dicarboxylic acid
SMILESC=CCC1(C(=O)O)CCCCC1C(=O)O
InChIInChI=1S/C11H16O4/c1-2-6-11(10(14)15)7-4-3-5-8(11)9(12)13/h2,8H,1,3-7H2,(H,12,13)(H,14,15)
InChIKeySRTIAJYUBKOGEH-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.91
Rot. Bonds4

About 1-prop-2-enylcyclohexane-1,2-dicarboxylic acid

1-prop-2-enylcyclohexane-1,2-dicarboxylic acid (PubChem CID 54321142) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 1-prop-2-enylcyclohexane-1,2-dicarboxylic acid.

Molecular Properties

Compound Name1-prop-2-enylcyclohexane-1,2-dicarboxylic acid
PubChem CID54321142
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name1-prop-2-enylcyclohexane-1,2-dicarboxylic acid
SMILESC=CCC1(C(=O)O)CCCCC1C(=O)O
InChIInChI=1S/C11H16O4/c1-2-6-11(10(14)15)7-4-3-5-8(11)9(12)13/h2,8H,1,3-7H2,(H,12,13)(H,14,15)
InChIKeySRTIAJYUBKOGEH-UHFFFAOYSA-N
XLogP1.91
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylcyclohexane-1,2-dicarboxylic acid?
The IUPAC name of 1-prop-2-enylcyclohexane-1,2-dicarboxylic acid (CID 54321142) is 1-prop-2-enylcyclohexane-1,2-dicarboxylic acid.
What is the SMILES notation for 1-prop-2-enylcyclohexane-1,2-dicarboxylic acid?
The canonical SMILES for 1-prop-2-enylcyclohexane-1,2-dicarboxylic acid is C=CCC1(C(=O)O)CCCCC1C(=O)O.
What is the InChIKey of 1-prop-2-enylcyclohexane-1,2-dicarboxylic acid?
The InChIKey is SRTIAJYUBKOGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-2-6-11(10(14)15)7-4-3-5-8(11)9(12)13/h2,8H,1,3-7H2,(H,12,13)(H,14,15).
What are the key properties of 1-prop-2-enylcyclohexane-1,2-dicarboxylic acid?
1-prop-2-enylcyclohexane-1,2-dicarboxylic acid has a molecular weight of 212.24 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylcyclohexane-1,2-dicarboxylic acid is sourced from PubChem (CID 54321142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).