2-cyclohex-2-en-1-yl-2-methylpropanedioic acid

C10H14O4 — CID 54035433

IUPAC2-cyclohex-2-en-1-yl-2-methylpropanedioic acid
SMILESCC(C(=O)O)(C(=O)O)C1C=CCCC1
InChIInChI=1S/C10H14O4/c1-10(8(11)12,9(13)14)7-5-3-2-4-6-7/h3,5,7H,2,4,6H2,1H3,(H,11,12)(H,13,14)
InChIKeyLIPNOMMJAXAPMC-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.52
Rot. Bonds3

About 2-cyclohex-2-en-1-yl-2-methylpropanedioic acid

2-cyclohex-2-en-1-yl-2-methylpropanedioic acid (PubChem CID 54035433) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-cyclohex-2-en-1-yl-2-methylpropanedioic acid.

Molecular Properties

Compound Name2-cyclohex-2-en-1-yl-2-methylpropanedioic acid
PubChem CID54035433
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name2-cyclohex-2-en-1-yl-2-methylpropanedioic acid
SMILESCC(C(=O)O)(C(=O)O)C1C=CCCC1
InChIInChI=1S/C10H14O4/c1-10(8(11)12,9(13)14)7-5-3-2-4-6-7/h3,5,7H,2,4,6H2,1H3,(H,11,12)(H,13,14)
InChIKeyLIPNOMMJAXAPMC-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': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-2-en-1-yl-2-methylpropanedioic acid?
The IUPAC name of 2-cyclohex-2-en-1-yl-2-methylpropanedioic acid (CID 54035433) is 2-cyclohex-2-en-1-yl-2-methylpropanedioic acid.
What is the SMILES notation for 2-cyclohex-2-en-1-yl-2-methylpropanedioic acid?
The canonical SMILES for 2-cyclohex-2-en-1-yl-2-methylpropanedioic acid is CC(C(=O)O)(C(=O)O)C1C=CCCC1.
What is the InChIKey of 2-cyclohex-2-en-1-yl-2-methylpropanedioic acid?
The InChIKey is LIPNOMMJAXAPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-10(8(11)12,9(13)14)7-5-3-2-4-6-7/h3,5,7H,2,4,6H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-cyclohex-2-en-1-yl-2-methylpropanedioic acid?
2-cyclohex-2-en-1-yl-2-methylpropanedioic 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 2-cyclohex-2-en-1-yl-2-methylpropanedioic acid is sourced from PubChem (CID 54035433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).