4-cyclohexylpentan-2-yl(triphenyl)phosphanium

C29H36P+ — CID 89269199

IUPAC4-cyclohexylpentan-2-yl(triphenyl)phosphanium
SMILESCC(CC(C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C1CCCCC1
InChIInChI=1S/C29H36P/c1-24(26-15-7-3-8-16-26)23-25(2)30(27-17-9-4-10-18-27,28-19-11-5-12-20-28)29-21-13-6-14-22-29/h4-6,9-14,17-22,24-26H,3,7-8,15-16,23H2,1-2H3/q+1
InChIKeyGZDSKHNMAWAKFS-UHFFFAOYSA-N
MW415.58 g/mol
LogP6.98
Rot. Bonds7

About 4-cyclohexylpentan-2-yl(triphenyl)phosphanium

4-cyclohexylpentan-2-yl(triphenyl)phosphanium (PubChem CID 89269199) has the molecular formula C29H36P+ and a molecular weight of 415.58 g/mol. Its IUPAC name is 4-cyclohexylpentan-2-yl(triphenyl)phosphanium.

Molecular Properties

Compound Name4-cyclohexylpentan-2-yl(triphenyl)phosphanium
PubChem CID89269199
Molecular FormulaC29H36P+
Molecular Weight415.58 g/mol
Exact Mass415.25
IUPAC Name4-cyclohexylpentan-2-yl(triphenyl)phosphanium
SMILESCC(CC(C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C1CCCCC1
InChIInChI=1S/C29H36P/c1-24(26-15-7-3-8-16-26)23-25(2)30(27-17-9-4-10-18-27,28-19-11-5-12-20-28)29-21-13-6-14-22-29/h4-6,9-14,17-22,24-26H,3,7-8,15-16,23H2,1-2H3/q+1
InChIKeyGZDSKHNMAWAKFS-UHFFFAOYSA-N
XLogP6.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.58
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-cyclohexylpentan-2-yl(triphenyl)phosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylpentan-2-yl(triphenyl)phosphanium?
The IUPAC name of 4-cyclohexylpentan-2-yl(triphenyl)phosphanium (CID 89269199) is 4-cyclohexylpentan-2-yl(triphenyl)phosphanium.
What is the SMILES notation for 4-cyclohexylpentan-2-yl(triphenyl)phosphanium?
The canonical SMILES for 4-cyclohexylpentan-2-yl(triphenyl)phosphanium is CC(CC(C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C1CCCCC1.
What is the InChIKey of 4-cyclohexylpentan-2-yl(triphenyl)phosphanium?
The InChIKey is GZDSKHNMAWAKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36P/c1-24(26-15-7-3-8-16-26)23-25(2)30(27-17-9-4-10-18-27,28-19-11-5-12-20-28)29-21-13-6-14-22-29/h4-6,9-14,17-22,24-26H,3,7-8,15-16,23H2,1-2H3/q+1.
What are the key properties of 4-cyclohexylpentan-2-yl(triphenyl)phosphanium?
4-cyclohexylpentan-2-yl(triphenyl)phosphanium has a molecular weight of 415.58 g/mol, XLogP of 6.98, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylpentan-2-yl(triphenyl)phosphanium is sourced from PubChem (CID 89269199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).