2,4,4-trimethylpentyl-[3-(2,4,4-trimethylpentylphosphanyl)propyl]phosphane

C19H42P2 — CID 22708886

IUPAC2,4,4-trimethylpentyl-[3-(2,4,4-trimethylpentylphosphanyl)propyl]phosphane
SMILESCC(CPCCCPCC(C)CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C19H42P2/c1-16(12-18(3,4)5)14-20-10-9-11-21-15-17(2)13-19(6,7)8/h16-17,20-21H,9-15H2,1-8H3
InChIKeyLKEGIEHKSWSDCU-UHFFFAOYSA-N
MW332.49 g/mol
LogP6.88
Rot. Bonds10

About 2,4,4-trimethylpentyl-[3-(2,4,4-trimethylpentylphosphanyl)propyl]phosphane

2,4,4-trimethylpentyl-[3-(2,4,4-trimethylpentylphosphanyl)propyl]phosphane (PubChem CID 22708886) has the molecular formula C19H42P2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 2,4,4-trimethylpentyl-[3-(2,4,4-trimethylpentylphosphanyl)propyl]phosphane.

Molecular Properties

Compound Name2,4,4-trimethylpentyl-[3-(2,4,4-trimethylpentylphosphanyl)propyl]phosphane
PubChem CID22708886
Molecular FormulaC19H42P2
Molecular Weight332.49 g/mol
Exact Mass332.28
IUPAC Name2,4,4-trimethylpentyl-[3-(2,4,4-trimethylpentylphosphanyl)propyl]phosphane
SMILESCC(CPCCCPCC(C)CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C19H42P2/c1-16(12-18(3,4)5)14-20-10-9-11-21-15-17(2)13-19(6,7)8/h16-17,20-21H,9-15H2,1-8H3
InChIKeyLKEGIEHKSWSDCU-UHFFFAOYSA-N
XLogP6.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethylpentyl-[3-(2,4,4-trimethylpentylphosphanyl)propyl]phosphane?
The IUPAC name of 2,4,4-trimethylpentyl-[3-(2,4,4-trimethylpentylphosphanyl)propyl]phosphane (CID 22708886) is 2,4,4-trimethylpentyl-[3-(2,4,4-trimethylpentylphosphanyl)propyl]phosphane.
What is the SMILES notation for 2,4,4-trimethylpentyl-[3-(2,4,4-trimethylpentylphosphanyl)propyl]phosphane?
The canonical SMILES for 2,4,4-trimethylpentyl-[3-(2,4,4-trimethylpentylphosphanyl)propyl]phosphane is CC(CPCCCPCC(C)CC(C)(C)C)CC(C)(C)C.
What is the InChIKey of 2,4,4-trimethylpentyl-[3-(2,4,4-trimethylpentylphosphanyl)propyl]phosphane?
The InChIKey is LKEGIEHKSWSDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42P2/c1-16(12-18(3,4)5)14-20-10-9-11-21-15-17(2)13-19(6,7)8/h16-17,20-21H,9-15H2,1-8H3.
What are the key properties of 2,4,4-trimethylpentyl-[3-(2,4,4-trimethylpentylphosphanyl)propyl]phosphane?
2,4,4-trimethylpentyl-[3-(2,4,4-trimethylpentylphosphanyl)propyl]phosphane has a molecular weight of 332.49 g/mol, XLogP of 6.88, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethylpentyl-[3-(2,4,4-trimethylpentylphosphanyl)propyl]phosphane is sourced from PubChem (CID 22708886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).