1-hydroxy-2-prop-2-enylcyclohexane-1-carboxylic acid

C10H16O3 — CID 68792420

IUPAC1-hydroxy-2-prop-2-enylcyclohexane-1-carboxylic acid
SMILESC=CCC1CCCCC1(O)C(=O)O
InChIInChI=1S/C10H16O3/c1-2-5-8-6-3-4-7-10(8,13)9(11)12/h2,8,13H,1,3-7H2,(H,11,12)
InChIKeyVKJDOTBHPWLODM-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.57
Rot. Bonds3

About 1-hydroxy-2-prop-2-enylcyclohexane-1-carboxylic acid

1-hydroxy-2-prop-2-enylcyclohexane-1-carboxylic acid (PubChem CID 68792420) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 1-hydroxy-2-prop-2-enylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-2-prop-2-enylcyclohexane-1-carboxylic acid
PubChem CID68792420
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name1-hydroxy-2-prop-2-enylcyclohexane-1-carboxylic acid
SMILESC=CCC1CCCCC1(O)C(=O)O
InChIInChI=1S/C10H16O3/c1-2-5-8-6-3-4-7-10(8,13)9(11)12/h2,8,13H,1,3-7H2,(H,11,12)
InChIKeyVKJDOTBHPWLODM-UHFFFAOYSA-N
XLogP1.57
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.57
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 1-hydroxy-2-prop-2-enylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-hydroxy-2-prop-2-enylcyclohexane-1-carboxylic acid (CID 68792420) is 1-hydroxy-2-prop-2-enylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-hydroxy-2-prop-2-enylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-hydroxy-2-prop-2-enylcyclohexane-1-carboxylic acid is C=CCC1CCCCC1(O)C(=O)O.
What is the InChIKey of 1-hydroxy-2-prop-2-enylcyclohexane-1-carboxylic acid?
The InChIKey is VKJDOTBHPWLODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-5-8-6-3-4-7-10(8,13)9(11)12/h2,8,13H,1,3-7H2,(H,11,12).
What are the key properties of 1-hydroxy-2-prop-2-enylcyclohexane-1-carboxylic acid?
1-hydroxy-2-prop-2-enylcyclohexane-1-carboxylic acid has a molecular weight of 184.23 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-prop-2-enylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 68792420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).