2-(4-propylcyclohexylidene)propanoic acid

C12H20O2 — CID 10241788

IUPAC2-(4-propylcyclohexylidene)propanoic acid
SMILESCCCC1CCC(=C(C)C(=O)O)CC1
InChIInChI=1S/C12H20O2/c1-3-4-10-5-7-11(8-6-10)9(2)12(13)14/h10H,3-8H2,1-2H3,(H,13,14)/b11-9-
InChIKeyCTKQRVZGSPNVRP-LUAWRHEFSA-N
MW196.29 g/mol
LogP3.38
Rot. Bonds3

About 2-(4-propylcyclohexylidene)propanoic acid

2-(4-propylcyclohexylidene)propanoic acid (PubChem CID 10241788) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(4-propylcyclohexylidene)propanoic acid.

Molecular Properties

Compound Name2-(4-propylcyclohexylidene)propanoic acid
PubChem CID10241788
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-(4-propylcyclohexylidene)propanoic acid
SMILESCCCC1CCC(=C(C)C(=O)O)CC1
InChIInChI=1S/C12H20O2/c1-3-4-10-5-7-11(8-6-10)9(2)12(13)14/h10H,3-8H2,1-2H3,(H,13,14)/b11-9-
InChIKeyCTKQRVZGSPNVRP-LUAWRHEFSA-N
XLogP3.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.38
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-(4-propylcyclohexylidene)propanoic acid?
The IUPAC name of 2-(4-propylcyclohexylidene)propanoic acid (CID 10241788) is 2-(4-propylcyclohexylidene)propanoic acid.
What is the SMILES notation for 2-(4-propylcyclohexylidene)propanoic acid?
The canonical SMILES for 2-(4-propylcyclohexylidene)propanoic acid is CCCC1CCC(=C(C)C(=O)O)CC1.
What is the InChIKey of 2-(4-propylcyclohexylidene)propanoic acid?
The InChIKey is CTKQRVZGSPNVRP-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-4-10-5-7-11(8-6-10)9(2)12(13)14/h10H,3-8H2,1-2H3,(H,13,14)/b11-9-.
What are the key properties of 2-(4-propylcyclohexylidene)propanoic acid?
2-(4-propylcyclohexylidene)propanoic acid has a molecular weight of 196.29 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylcyclohexylidene)propanoic acid is sourced from PubChem (CID 10241788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).