4-methylpentyl-(4-methylphenyl)-phenylphosphane

C19H25P — CID 56983506

IUPAC4-methylpentyl-(4-methylphenyl)-phenylphosphane
SMILESCc1ccc(P(CCCC(C)C)c2ccccc2)cc1
InChIInChI=1S/C19H25P/c1-16(2)8-7-15-20(18-9-5-4-6-10-18)19-13-11-17(3)12-14-19/h4-6,9-14,16H,7-8,15H2,1-3H3
InChIKeyPKICKRDSNCAHIV-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.86
Rot. Bonds6

About 4-methylpentyl-(4-methylphenyl)-phenylphosphane

4-methylpentyl-(4-methylphenyl)-phenylphosphane (PubChem CID 56983506) has the molecular formula C19H25P and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-methylpentyl-(4-methylphenyl)-phenylphosphane.

Molecular Properties

Compound Name4-methylpentyl-(4-methylphenyl)-phenylphosphane
PubChem CID56983506
Molecular FormulaC19H25P
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name4-methylpentyl-(4-methylphenyl)-phenylphosphane
SMILESCc1ccc(P(CCCC(C)C)c2ccccc2)cc1
InChIInChI=1S/C19H25P/c1-16(2)8-7-15-20(18-9-5-4-6-10-18)19-13-11-17(3)12-14-19/h4-6,9-14,16H,7-8,15H2,1-3H3
InChIKeyPKICKRDSNCAHIV-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylpentyl-(4-methylphenyl)-phenylphosphane?
The IUPAC name of 4-methylpentyl-(4-methylphenyl)-phenylphosphane (CID 56983506) is 4-methylpentyl-(4-methylphenyl)-phenylphosphane.
What is the SMILES notation for 4-methylpentyl-(4-methylphenyl)-phenylphosphane?
The canonical SMILES for 4-methylpentyl-(4-methylphenyl)-phenylphosphane is Cc1ccc(P(CCCC(C)C)c2ccccc2)cc1.
What is the InChIKey of 4-methylpentyl-(4-methylphenyl)-phenylphosphane?
The InChIKey is PKICKRDSNCAHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25P/c1-16(2)8-7-15-20(18-9-5-4-6-10-18)19-13-11-17(3)12-14-19/h4-6,9-14,16H,7-8,15H2,1-3H3.
What are the key properties of 4-methylpentyl-(4-methylphenyl)-phenylphosphane?
4-methylpentyl-(4-methylphenyl)-phenylphosphane has a molecular weight of 284.38 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentyl-(4-methylphenyl)-phenylphosphane is sourced from PubChem (CID 56983506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).