(1R,2R,5R)-5-hydroxycyclohex-3-ene-1,2-dicarboxylic acid

C8H10O5 — CID 135086217

IUPAC(1R,2R,5R)-5-hydroxycyclohex-3-ene-1,2-dicarboxylic acid
SMILESO=C(O)[C@@H]1C=C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C8H10O5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-2,4-6,9H,3H2,(H,10,11)(H,12,13)/t4-,5+,6+/m0/s1
InChIKeyBGPRLDCGFWHLCA-KVQBGUIXSA-N
MW186.16 g/mol
LogP-0.29
Rot. Bonds2

About (1R,2R,5R)-5-hydroxycyclohex-3-ene-1,2-dicarboxylic acid

(1R,2R,5R)-5-hydroxycyclohex-3-ene-1,2-dicarboxylic acid (PubChem CID 135086217) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is (1R,2R,5R)-5-hydroxycyclohex-3-ene-1,2-dicarboxylic acid.

Molecular Properties

Compound Name(1R,2R,5R)-5-hydroxycyclohex-3-ene-1,2-dicarboxylic acid
PubChem CID135086217
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name(1R,2R,5R)-5-hydroxycyclohex-3-ene-1,2-dicarboxylic acid
SMILESO=C(O)[C@@H]1C=C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C8H10O5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-2,4-6,9H,3H2,(H,10,11)(H,12,13)/t4-,5+,6+/m0/s1
InChIKeyBGPRLDCGFWHLCA-KVQBGUIXSA-N
XLogP-0.29
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 ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 (1R,2R,5R)-5-hydroxycyclohex-3-ene-1,2-dicarboxylic acid?
The IUPAC name of (1R,2R,5R)-5-hydroxycyclohex-3-ene-1,2-dicarboxylic acid (CID 135086217) is (1R,2R,5R)-5-hydroxycyclohex-3-ene-1,2-dicarboxylic acid.
What is the SMILES notation for (1R,2R,5R)-5-hydroxycyclohex-3-ene-1,2-dicarboxylic acid?
The canonical SMILES for (1R,2R,5R)-5-hydroxycyclohex-3-ene-1,2-dicarboxylic acid is O=C(O)[C@@H]1C=C[C@H](O)C[C@H]1C(=O)O.
What is the InChIKey of (1R,2R,5R)-5-hydroxycyclohex-3-ene-1,2-dicarboxylic acid?
The InChIKey is BGPRLDCGFWHLCA-KVQBGUIXSA-N. The full InChI is InChI=1S/C8H10O5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-2,4-6,9H,3H2,(H,10,11)(H,12,13)/t4-,5+,6+/m0/s1.
What are the key properties of (1R,2R,5R)-5-hydroxycyclohex-3-ene-1,2-dicarboxylic acid?
(1R,2R,5R)-5-hydroxycyclohex-3-ene-1,2-dicarboxylic acid has a molecular weight of 186.16 g/mol, XLogP of -0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R)-5-hydroxycyclohex-3-ene-1,2-dicarboxylic acid is sourced from PubChem (CID 135086217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).