1-ethenylcyclohexane-1,2-dicarboxylic acid

C10H14O4 — CID 156868252

IUPAC1-ethenylcyclohexane-1,2-dicarboxylic acid
SMILESC=CC1(C(=O)O)CCCCC1C(=O)O
InChIInChI=1S/C10H14O4/c1-2-10(9(13)14)6-4-3-5-7(10)8(11)12/h2,7H,1,3-6H2,(H,11,12)(H,13,14)
InChIKeyRDJMVVOZKFZQMC-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.52
Rot. Bonds3

About 1-ethenylcyclohexane-1,2-dicarboxylic acid

1-ethenylcyclohexane-1,2-dicarboxylic acid (PubChem CID 156868252) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-ethenylcyclohexane-1,2-dicarboxylic acid.

Molecular Properties

Compound Name1-ethenylcyclohexane-1,2-dicarboxylic acid
PubChem CID156868252
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name1-ethenylcyclohexane-1,2-dicarboxylic acid
SMILESC=CC1(C(=O)O)CCCCC1C(=O)O
InChIInChI=1S/C10H14O4/c1-2-10(9(13)14)6-4-3-5-7(10)8(11)12/h2,7H,1,3-6H2,(H,11,12)(H,13,14)
InChIKeyRDJMVVOZKFZQMC-UHFFFAOYSA-N
XLogP1.52
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 67543785
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CID 87124247
methane;1-methylcyclohexane-1,2-dicarboxylic acid
CID 173225702
1-methylcyclohexane-1,2-dicarboxylic acid;hydrochloride
CID 159985709
1-propylcyclohexane-1,2-dicarboxylic acid
CID 18175920
(1R)-2,2-difluorocycloheptane-1-carboxylic acid
CID 97297799
1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid;prop-1-ene
CID 159439437
benzene;1-cyclohexylcyclohexane-1,2-dicarboxylic acid
CID 174291946
trans-(1S,2S)-2-cyclohexyl-2-hydroxycyclohexane-1-carboxylic acid
CID 102532516
1-aminocyclopentane-1,2-dicarboxylic acid;azane
CID 54610731
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CID 56634315

Frequently Asked Questions

What is the IUPAC name of 1-ethenylcyclohexane-1,2-dicarboxylic acid?
The IUPAC name of 1-ethenylcyclohexane-1,2-dicarboxylic acid (CID 156868252) is 1-ethenylcyclohexane-1,2-dicarboxylic acid.
What is the SMILES notation for 1-ethenylcyclohexane-1,2-dicarboxylic acid?
The canonical SMILES for 1-ethenylcyclohexane-1,2-dicarboxylic acid is C=CC1(C(=O)O)CCCCC1C(=O)O.
What is the InChIKey of 1-ethenylcyclohexane-1,2-dicarboxylic acid?
The InChIKey is RDJMVVOZKFZQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-2-10(9(13)14)6-4-3-5-7(10)8(11)12/h2,7H,1,3-6H2,(H,11,12)(H,13,14).
What are the key properties of 1-ethenylcyclohexane-1,2-dicarboxylic acid?
1-ethenylcyclohexane-1,2-dicarboxylic acid has a molecular weight of 198.22 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylcyclohexane-1,2-dicarboxylic acid is sourced from PubChem (CID 156868252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).