2-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carboxylic acid

C10H16O3 — CID 11966229

IUPAC2-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carboxylic acid
SMILESC=C(C)C1CCC(C(=O)O)C(O)C1
InChIInChI=1S/C10H16O3/c1-6(2)7-3-4-8(10(12)13)9(11)5-7/h7-9,11H,1,3-5H2,2H3,(H,12,13)
InChIKeyMYINPIFJBYJQKQ-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.42
Rot. Bonds2

About 2-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carboxylic acid

2-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carboxylic acid (PubChem CID 11966229) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carboxylic acid
PubChem CID11966229
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carboxylic acid
SMILESC=C(C)C1CCC(C(=O)O)C(O)C1
InChIInChI=1S/C10H16O3/c1-6(2)7-3-4-8(10(12)13)9(11)5-7/h7-9,11H,1,3-5H2,2H3,(H,12,13)
InChIKeyMYINPIFJBYJQKQ-UHFFFAOYSA-N
XLogP1.42
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carboxylic acid (CID 11966229) is 2-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carboxylic acid is C=C(C)C1CCC(C(=O)O)C(O)C1.
What is the InChIKey of 2-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carboxylic acid?
The InChIKey is MYINPIFJBYJQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-6(2)7-3-4-8(10(12)13)9(11)5-7/h7-9,11H,1,3-5H2,2H3,(H,12,13).
What are the key properties of 2-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carboxylic acid?
2-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carboxylic acid has a molecular weight of 184.23 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 11966229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).