4-hydroxycyclohexene-1,2-dicarboxylic acid

C8H10O5 — CID 21297077

IUPAC4-hydroxycyclohexene-1,2-dicarboxylic acid
SMILESO=C(O)C1=C(C(=O)O)CC(O)CC1
InChIInChI=1S/C8H10O5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h4,9H,1-3H2,(H,10,11)(H,12,13)
InChIKeyIQTRCSIFRNCQBN-UHFFFAOYSA-N
MW186.16 g/mol
LogP-0.00
Rot. Bonds2

About 4-hydroxycyclohexene-1,2-dicarboxylic acid

4-hydroxycyclohexene-1,2-dicarboxylic acid (PubChem CID 21297077) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is 4-hydroxycyclohexene-1,2-dicarboxylic acid.

Molecular Properties

Compound Name4-hydroxycyclohexene-1,2-dicarboxylic acid
PubChem CID21297077
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name4-hydroxycyclohexene-1,2-dicarboxylic acid
SMILESO=C(O)C1=C(C(=O)O)CC(O)CC1
InChIInChI=1S/C8H10O5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h4,9H,1-3H2,(H,10,11)(H,12,13)
InChIKeyIQTRCSIFRNCQBN-UHFFFAOYSA-N
XLogP-0.00
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxycyclohexene-1,2-dicarboxylic acid?
The IUPAC name of 4-hydroxycyclohexene-1,2-dicarboxylic acid (CID 21297077) is 4-hydroxycyclohexene-1,2-dicarboxylic acid.
What is the SMILES notation for 4-hydroxycyclohexene-1,2-dicarboxylic acid?
The canonical SMILES for 4-hydroxycyclohexene-1,2-dicarboxylic acid is O=C(O)C1=C(C(=O)O)CC(O)CC1.
What is the InChIKey of 4-hydroxycyclohexene-1,2-dicarboxylic acid?
The InChIKey is IQTRCSIFRNCQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h4,9H,1-3H2,(H,10,11)(H,12,13).
What are the key properties of 4-hydroxycyclohexene-1,2-dicarboxylic acid?
4-hydroxycyclohexene-1,2-dicarboxylic acid has a molecular weight of 186.16 g/mol, XLogP of -0.00, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxycyclohexene-1,2-dicarboxylic acid is sourced from PubChem (CID 21297077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).