2-hydroxycyclohexene-1-carboxylic acid

C7H10O3 — CID 54725084

IUPAC2-hydroxycyclohexene-1-carboxylic acid
SMILESO=C(O)C1=C(O)CCCC1
InChIInChI=1S/C7H10O3/c8-6-4-2-1-3-5(6)7(9)10/h8H,1-4H2,(H,9,10)
InChIKeyPGGMYFMMTCBJMU-UHFFFAOYSA-N
MW142.15 g/mol
LogP1.46
Rot. Bonds1

About 2-hydroxycyclohexene-1-carboxylic acid

2-hydroxycyclohexene-1-carboxylic acid (PubChem CID 54725084) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 2-hydroxycyclohexene-1-carboxylic acid.

Molecular Properties

Compound Name2-hydroxycyclohexene-1-carboxylic acid
PubChem CID54725084
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name2-hydroxycyclohexene-1-carboxylic acid
SMILESO=C(O)C1=C(O)CCCC1
InChIInChI=1S/C7H10O3/c8-6-4-2-1-3-5(6)7(9)10/h8H,1-4H2,(H,9,10)
InChIKeyPGGMYFMMTCBJMU-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxycyclohexene-1-carboxylic acid?
The IUPAC name of 2-hydroxycyclohexene-1-carboxylic acid (CID 54725084) is 2-hydroxycyclohexene-1-carboxylic acid.
What is the SMILES notation for 2-hydroxycyclohexene-1-carboxylic acid?
The canonical SMILES for 2-hydroxycyclohexene-1-carboxylic acid is O=C(O)C1=C(O)CCCC1.
What is the InChIKey of 2-hydroxycyclohexene-1-carboxylic acid?
The InChIKey is PGGMYFMMTCBJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c8-6-4-2-1-3-5(6)7(9)10/h8H,1-4H2,(H,9,10).
What are the key properties of 2-hydroxycyclohexene-1-carboxylic acid?
2-hydroxycyclohexene-1-carboxylic acid has a molecular weight of 142.15 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxycyclohexene-1-carboxylic acid is sourced from PubChem (CID 54725084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).