(1R,5R)-5-hydroxycyclohex-3-ene-1-carboxylic acid

C7H10O3 — CID 55300346

IUPAC(1R,5R)-5-hydroxycyclohex-3-ene-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC=C[C@H](O)C1
InChIInChI=1S/C7H10O3/c8-6-3-1-2-5(4-6)7(9)10/h1,3,5-6,8H,2,4H2,(H,9,10)/t5-,6+/m1/s1
InChIKeyCNPPQIVHKLYCGG-RITPCOANSA-N
MW142.15 g/mol
LogP0.40
Rot. Bonds1

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

(1R,5R)-5-hydroxycyclohex-3-ene-1-carboxylic acid (PubChem CID 55300346) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (1R,5R)-5-hydroxycyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name(1R,5R)-5-hydroxycyclohex-3-ene-1-carboxylic acid
PubChem CID55300346
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(1R,5R)-5-hydroxycyclohex-3-ene-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC=C[C@H](O)C1
InChIInChI=1S/C7H10O3/c8-6-3-1-2-5(4-6)7(9)10/h1,3,5-6,8H,2,4H2,(H,9,10)/t5-,6+/m1/s1
InChIKeyCNPPQIVHKLYCGG-RITPCOANSA-N
XLogP0.40
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.40
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

Ampelomin A
CID 25243398
rac-methyl (1R,5R)-5-hydroxycyclohex-3-ene-1-carboxylate
CID 10630745
(1S,5S)-5-hydroxycyclohex-3-ene-1-carboxylic acid
CID 57908124
Gliomacid B
CID 139590656
cis-Ethyl 4-hydroxy-2-methylcyclopent-2-enecarboxylate
CID 10877556
ethyl (1S,4S)-4-hydroxy-2-methylcyclopent-2-ene-1-carboxylate
CID 11137552
2-(5-Hydroxycyclopent-2-en-1-yl)acetic acid
CID 12813244
[(1R,5S)-5-Hydroxycyclopent-2-en-1-yl]acetic acid
CID 12813247
2-Hydroxycyclohex-3-ene-1-carboxylic acid
CID 14090861
dimethyl (1S,2R)-3-hydroxycyclohex-4-ene-1,2-dicarboxylate
CID 57549775
2-(Hydroxymethyl)cyclopent-2-ene-1-carboxylic acid
CID 77192746
4-Hydroxy-7-oxyhept-5-enoic acid
CID 129846787

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-5-hydroxycyclohex-3-ene-1-carboxylic acid?
The IUPAC name of (1R,5R)-5-hydroxycyclohex-3-ene-1-carboxylic acid (CID 55300346) is (1R,5R)-5-hydroxycyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for (1R,5R)-5-hydroxycyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for (1R,5R)-5-hydroxycyclohex-3-ene-1-carboxylic acid is O=C(O)[C@@H]1CC=C[C@H](O)C1.
What is the InChIKey of (1R,5R)-5-hydroxycyclohex-3-ene-1-carboxylic acid?
The InChIKey is CNPPQIVHKLYCGG-RITPCOANSA-N. The full InChI is InChI=1S/C7H10O3/c8-6-3-1-2-5(4-6)7(9)10/h1,3,5-6,8H,2,4H2,(H,9,10)/t5-,6+/m1/s1.
What are the key properties of (1R,5R)-5-hydroxycyclohex-3-ene-1-carboxylic acid?
(1R,5R)-5-hydroxycyclohex-3-ene-1-carboxylic acid has a molecular weight of 142.15 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-5-hydroxycyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 55300346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).