1-hydroxy-4-methylidenecyclohexane-1-carboxylic acid

C8H12O3 — CID 123202802

IUPAC1-hydroxy-4-methylidenecyclohexane-1-carboxylic acid
SMILESC=C1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C8H12O3/c1-6-2-4-8(11,5-3-6)7(9)10/h11H,1-5H2,(H,9,10)
InChIKeyHVZYMSXJDVGHAI-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.93
Rot. Bonds1

About 1-hydroxy-4-methylidenecyclohexane-1-carboxylic acid

1-hydroxy-4-methylidenecyclohexane-1-carboxylic acid (PubChem CID 123202802) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 1-hydroxy-4-methylidenecyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-4-methylidenecyclohexane-1-carboxylic acid
PubChem CID123202802
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name1-hydroxy-4-methylidenecyclohexane-1-carboxylic acid
SMILESC=C1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C8H12O3/c1-6-2-4-8(11,5-3-6)7(9)10/h11H,1-5H2,(H,9,10)
InChIKeyHVZYMSXJDVGHAI-UHFFFAOYSA-N
XLogP0.93
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.93
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-4-methylidenecyclohexane-1-carboxylic acid?
The IUPAC name of 1-hydroxy-4-methylidenecyclohexane-1-carboxylic acid (CID 123202802) is 1-hydroxy-4-methylidenecyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-hydroxy-4-methylidenecyclohexane-1-carboxylic acid?
The canonical SMILES for 1-hydroxy-4-methylidenecyclohexane-1-carboxylic acid is C=C1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 1-hydroxy-4-methylidenecyclohexane-1-carboxylic acid?
The InChIKey is HVZYMSXJDVGHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-6-2-4-8(11,5-3-6)7(9)10/h11H,1-5H2,(H,9,10).
What are the key properties of 1-hydroxy-4-methylidenecyclohexane-1-carboxylic acid?
1-hydroxy-4-methylidenecyclohexane-1-carboxylic acid has a molecular weight of 156.18 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-methylidenecyclohexane-1-carboxylic acid is sourced from PubChem (CID 123202802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).