cyclohexane-1,2-dicarboxylic acid;(Z)-2-hydroxypent-2-enoic acid

C13H20O7 — CID 67426263

IUPACcyclohexane-1,2-dicarboxylic acid;(Z)-2-hydroxypent-2-enoic acid
SMILESCC/C=C(\O)C(=O)O.O=C(O)C1CCCCC1C(=O)O
InChIInChI=1S/C8H12O4.C5H8O3/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-2-3-4(6)5(7)8/h5-6H,1-4H2,(H,9,10)(H,11,12);3,6H,2H2,1H3,(H,7,8)/b;4-3-
InChIKeyBIWCTVYJTOGJCJ-QGAMPUOQSA-N
MW288.30 g/mol
LogP1.88
Rot. Bonds4

About cyclohexane-1,2-dicarboxylic acid;(Z)-2-hydroxypent-2-enoic acid

cyclohexane-1,2-dicarboxylic acid;(Z)-2-hydroxypent-2-enoic acid (PubChem CID 67426263) has the molecular formula C13H20O7 and a molecular weight of 288.30 g/mol. Its IUPAC name is cyclohexane-1,2-dicarboxylic acid;(Z)-2-hydroxypent-2-enoic acid.

Molecular Properties

Compound Namecyclohexane-1,2-dicarboxylic acid;(Z)-2-hydroxypent-2-enoic acid
PubChem CID67426263
Molecular FormulaC13H20O7
Molecular Weight288.30 g/mol
Exact Mass288.12
IUPAC Namecyclohexane-1,2-dicarboxylic acid;(Z)-2-hydroxypent-2-enoic acid
SMILESCC/C=C(\O)C(=O)O.O=C(O)C1CCCCC1C(=O)O
InChIInChI=1S/C8H12O4.C5H8O3/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-2-3-4(6)5(7)8/h5-6H,1-4H2,(H,9,10)(H,11,12);3,6H,2H2,1H3,(H,7,8)/b;4-3-
InChIKeyBIWCTVYJTOGJCJ-QGAMPUOQSA-N
XLogP1.88
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,2-dicarboxylic acid;(Z)-2-hydroxypent-2-enoic acid?
The IUPAC name of cyclohexane-1,2-dicarboxylic acid;(Z)-2-hydroxypent-2-enoic acid (CID 67426263) is cyclohexane-1,2-dicarboxylic acid;(Z)-2-hydroxypent-2-enoic acid.
What is the SMILES notation for cyclohexane-1,2-dicarboxylic acid;(Z)-2-hydroxypent-2-enoic acid?
The canonical SMILES for cyclohexane-1,2-dicarboxylic acid;(Z)-2-hydroxypent-2-enoic acid is CC/C=C(\O)C(=O)O.O=C(O)C1CCCCC1C(=O)O.
What is the InChIKey of cyclohexane-1,2-dicarboxylic acid;(Z)-2-hydroxypent-2-enoic acid?
The InChIKey is BIWCTVYJTOGJCJ-QGAMPUOQSA-N. The full InChI is InChI=1S/C8H12O4.C5H8O3/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-2-3-4(6)5(7)8/h5-6H,1-4H2,(H,9,10)(H,11,12);3,6H,2H2,1H3,(H,7,8)/b;4-3-.
What are the key properties of cyclohexane-1,2-dicarboxylic acid;(Z)-2-hydroxypent-2-enoic acid?
cyclohexane-1,2-dicarboxylic acid;(Z)-2-hydroxypent-2-enoic acid has a molecular weight of 288.30 g/mol, XLogP of 1.88, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,2-dicarboxylic acid;(Z)-2-hydroxypent-2-enoic acid is sourced from PubChem (CID 67426263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).