4-hydroxycyclohexene-1-carboxylic acid

C7H10O3 — CID 45116548

IUPAC4-hydroxycyclohexene-1-carboxylic acid
SMILESO=C(O)C1=CCC(O)CC1
InChIInChI=1S/C7H10O3/c8-6-3-1-5(2-4-6)7(9)10/h1,6,8H,2-4H2,(H,9,10)
InChIKeyPZMSECKZCOOKBY-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.54
Rot. Bonds1

About 4-hydroxycyclohexene-1-carboxylic acid

4-hydroxycyclohexene-1-carboxylic acid (PubChem CID 45116548) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 4-hydroxycyclohexene-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxycyclohexene-1-carboxylic acid
PubChem CID45116548
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name4-hydroxycyclohexene-1-carboxylic acid
SMILESO=C(O)C1=CCC(O)CC1
InChIInChI=1S/C7H10O3/c8-6-3-1-5(2-4-6)7(9)10/h1,6,8H,2-4H2,(H,9,10)
InChIKeyPZMSECKZCOOKBY-UHFFFAOYSA-N
XLogP0.54
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 ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxycyclohexene-1-carboxylic acid?
The IUPAC name of 4-hydroxycyclohexene-1-carboxylic acid (CID 45116548) is 4-hydroxycyclohexene-1-carboxylic acid.
What is the SMILES notation for 4-hydroxycyclohexene-1-carboxylic acid?
The canonical SMILES for 4-hydroxycyclohexene-1-carboxylic acid is O=C(O)C1=CCC(O)CC1.
What is the InChIKey of 4-hydroxycyclohexene-1-carboxylic acid?
The InChIKey is PZMSECKZCOOKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c8-6-3-1-5(2-4-6)7(9)10/h1,6,8H,2-4H2,(H,9,10).
What are the key properties of 4-hydroxycyclohexene-1-carboxylic acid?
4-hydroxycyclohexene-1-carboxylic acid has a molecular weight of 142.15 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxycyclohexene-1-carboxylic acid is sourced from PubChem (CID 45116548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).