dipentyl(phenyl)phosphane

C16H27P — CID 3085487

IUPACdipentyl(phenyl)phosphane
SMILESCCCCCP(CCCCC)c1ccccc1
InChIInChI=1S/C16H27P/c1-3-5-10-14-17(15-11-6-4-2)16-12-8-7-9-13-16/h7-9,12-13H,3-6,10-11,14-15H2,1-2H3
InChIKeyQDZAKCWPRPKCBW-UHFFFAOYSA-N
MW250.37 g/mol
LogP5.17
Rot. Bonds9

About dipentyl(phenyl)phosphane

dipentyl(phenyl)phosphane (PubChem CID 3085487) has the molecular formula C16H27P and a molecular weight of 250.37 g/mol. Its IUPAC name is dipentyl(phenyl)phosphane.

Molecular Properties

Compound Namedipentyl(phenyl)phosphane
PubChem CID3085487
Molecular FormulaC16H27P
Molecular Weight250.37 g/mol
Exact Mass250.19
IUPAC Namedipentyl(phenyl)phosphane
SMILESCCCCCP(CCCCC)c1ccccc1
InChIInChI=1S/C16H27P/c1-3-5-10-14-17(15-11-6-4-2)16-12-8-7-9-13-16/h7-9,12-13H,3-6,10-11,14-15H2,1-2H3
InChIKeyQDZAKCWPRPKCBW-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.37
LogP ≤ 55.17
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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Related Compounds

hexadecyl(phenyl)phosphinous acid
CID 22292084
bis[3-[methyl(phenyl)phosphanyl]propyl]-phenylphosphane
CID 58654516
ethyl-[2-[ethyl(phenyl)phosphanyl]ethyl]-phenylphosphane
CID 22760091
[2-(2-dipentylphosphanylphenyl)phenyl]-dipentylphosphane
CID 87309662
bis[3-di(propan-2-yloxy)phosphanylpropyl]-phenylphosphane
CID 102211792
3-[3-[3-hydroxypropyl(phenyl)phosphanyl]propyl-phenylphosphanyl]propan-1-ol
CID 14871357
butyl-methyl-phenylphosphane
CID 14832966
dipentyl-(2-phenylphenyl)phosphane
CID 67449535
(2-methylphenyl)-dioctylphosphane
CID 70128590
(4-butylphenyl)-ethyl-hexylphosphane
CID 90109509
butyl-phenyl-trimethylsilylphosphane
CID 15076364
1-diphenylphosphanylethenyl(diphenyl)phosphane;hexane
CID 131733424

Frequently Asked Questions

What is the IUPAC name of dipentyl(phenyl)phosphane?
The IUPAC name of dipentyl(phenyl)phosphane (CID 3085487) is dipentyl(phenyl)phosphane.
What is the SMILES notation for dipentyl(phenyl)phosphane?
The canonical SMILES for dipentyl(phenyl)phosphane is CCCCCP(CCCCC)c1ccccc1.
What is the InChIKey of dipentyl(phenyl)phosphane?
The InChIKey is QDZAKCWPRPKCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27P/c1-3-5-10-14-17(15-11-6-4-2)16-12-8-7-9-13-16/h7-9,12-13H,3-6,10-11,14-15H2,1-2H3.
What are the key properties of dipentyl(phenyl)phosphane?
dipentyl(phenyl)phosphane has a molecular weight of 250.37 g/mol, XLogP of 5.17, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dipentyl(phenyl)phosphane is sourced from PubChem (CID 3085487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).