2-cyclohexylidenehexanoic acid

C12H20O2 — CID 11446907

IUPAC2-cyclohexylidenehexanoic acid
SMILESCCCCC(C(=O)O)=C1CCCCC1
InChIInChI=1S/C12H20O2/c1-2-3-9-11(12(13)14)10-7-5-4-6-8-10/h2-9H2,1H3,(H,13,14)
InChIKeyRHPLELZLZLOFGG-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.52
Rot. Bonds4

About 2-cyclohexylidenehexanoic acid

2-cyclohexylidenehexanoic acid (PubChem CID 11446907) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-cyclohexylidenehexanoic acid.

Molecular Properties

Compound Name2-cyclohexylidenehexanoic acid
PubChem CID11446907
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-cyclohexylidenehexanoic acid
SMILESCCCCC(C(=O)O)=C1CCCCC1
InChIInChI=1S/C12H20O2/c1-2-3-9-11(12(13)14)10-7-5-4-6-8-10/h2-9H2,1H3,(H,13,14)
InChIKeyRHPLELZLZLOFGG-UHFFFAOYSA-N
XLogP3.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.52
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-cyclohexylidenehexanoic acid?
The IUPAC name of 2-cyclohexylidenehexanoic acid (CID 11446907) is 2-cyclohexylidenehexanoic acid.
What is the SMILES notation for 2-cyclohexylidenehexanoic acid?
The canonical SMILES for 2-cyclohexylidenehexanoic acid is CCCCC(C(=O)O)=C1CCCCC1.
What is the InChIKey of 2-cyclohexylidenehexanoic acid?
The InChIKey is RHPLELZLZLOFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-3-9-11(12(13)14)10-7-5-4-6-8-10/h2-9H2,1H3,(H,13,14).
What are the key properties of 2-cyclohexylidenehexanoic acid?
2-cyclohexylidenehexanoic acid has a molecular weight of 196.29 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylidenehexanoic acid is sourced from PubChem (CID 11446907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).