2-cyclohexylidenepropanoic acid

C9H14O2 — CID 2825114

IUPAC2-cyclohexylidenepropanoic acid
SMILESCC(C(=O)O)=C1CCCCC1
InChIInChI=1S/C9H14O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-6H2,1H3,(H,10,11)
InChIKeyILPJNQOCORRCHP-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.35
Rot. Bonds1

About 2-cyclohexylidenepropanoic acid

2-cyclohexylidenepropanoic acid (PubChem CID 2825114) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-cyclohexylidenepropanoic acid.

Molecular Properties

Compound Name2-cyclohexylidenepropanoic acid
PubChem CID2825114
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2-cyclohexylidenepropanoic acid
SMILESCC(C(=O)O)=C1CCCCC1
InChIInChI=1S/C9H14O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-6H2,1H3,(H,10,11)
InChIKeyILPJNQOCORRCHP-UHFFFAOYSA-N
XLogP2.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylidenepropanoic acid?
The IUPAC name of 2-cyclohexylidenepropanoic acid (CID 2825114) is 2-cyclohexylidenepropanoic acid.
What is the SMILES notation for 2-cyclohexylidenepropanoic acid?
The canonical SMILES for 2-cyclohexylidenepropanoic acid is CC(C(=O)O)=C1CCCCC1.
What is the InChIKey of 2-cyclohexylidenepropanoic acid?
The InChIKey is ILPJNQOCORRCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-6H2,1H3,(H,10,11).
What are the key properties of 2-cyclohexylidenepropanoic acid?
2-cyclohexylidenepropanoic acid has a molecular weight of 154.21 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylidenepropanoic acid is sourced from PubChem (CID 2825114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).