pent-4-ynyl(diphenyl)phosphane

C17H17P — CID 15791199

IUPACpent-4-ynyl(diphenyl)phosphane
SMILESC#CCCCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17P/c1-2-3-10-15-18(16-11-6-4-7-12-16)17-13-8-5-9-14-17/h1,4-9,11-14H,3,10,15H2
InChIKeyQIIJLEDKDLNPNA-UHFFFAOYSA-N
MW252.30 g/mol
LogP3.53
Rot. Bonds5

About pent-4-ynyl(diphenyl)phosphane

pent-4-ynyl(diphenyl)phosphane (PubChem CID 15791199) has the molecular formula C17H17P and a molecular weight of 252.30 g/mol. Its IUPAC name is pent-4-ynyl(diphenyl)phosphane.

Molecular Properties

Compound Namepent-4-ynyl(diphenyl)phosphane
PubChem CID15791199
Molecular FormulaC17H17P
Molecular Weight252.30 g/mol
Exact Mass252.11
IUPAC Namepent-4-ynyl(diphenyl)phosphane
SMILESC#CCCCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17P/c1-2-3-10-15-18(16-11-6-4-7-12-16)17-13-8-5-9-14-17/h1,4-9,11-14H,3,10,15H2
InChIKeyQIIJLEDKDLNPNA-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 53.53
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

bis(6-diphenylphosphanylhexyl(diphenyl)phosphane);palladium
CID 87455708
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
dibromocobalt;6-diphenylphosphanylhexyl(diphenyl)phosphane
CID 11377369
4-dimethylphosphanylbutyl(diphenyl)phosphane
CID 13159123
bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);bromide
CID 173374421
bis(4-diphenylphosphanylbutyl(diphenyl)phosphane);platinum;ditetrafluoroborate;dihydrate
CID 10996904
bis(3-diphenylphosphanylpropan-1-amine);ruthenium(2+);dichloride
CID 170997457
bromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane)
CID 15017629
chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 12000429
bis(benzonitrile);3-diphenylphosphanylpropyl(diphenyl)phosphane;platinum(2+);ditetrafluoroborate
CID 11320626
2-diphenylphosphanylethanamine;2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium
CID 90421643
butyl(diphenyl)phosphane;chloroplatinum
CID 175284434

Frequently Asked Questions

What is the IUPAC name of pent-4-ynyl(diphenyl)phosphane?
The IUPAC name of pent-4-ynyl(diphenyl)phosphane (CID 15791199) is pent-4-ynyl(diphenyl)phosphane.
What is the SMILES notation for pent-4-ynyl(diphenyl)phosphane?
The canonical SMILES for pent-4-ynyl(diphenyl)phosphane is C#CCCCP(c1ccccc1)c1ccccc1.
What is the InChIKey of pent-4-ynyl(diphenyl)phosphane?
The InChIKey is QIIJLEDKDLNPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17P/c1-2-3-10-15-18(16-11-6-4-7-12-16)17-13-8-5-9-14-17/h1,4-9,11-14H,3,10,15H2.
What are the key properties of pent-4-ynyl(diphenyl)phosphane?
pent-4-ynyl(diphenyl)phosphane has a molecular weight of 252.30 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pent-4-ynyl(diphenyl)phosphane is sourced from PubChem (CID 15791199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).