1-cyclopenta-1,4-dien-1-ylpropyl(diphenyl)phosphane

C20H21P — CID 135850349

IUPAC1-cyclopenta-1,4-dien-1-ylpropyl(diphenyl)phosphane
SMILESCCC(C1=CCC=C1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21P/c1-2-20(17-11-9-10-12-17)21(18-13-5-3-6-14-18)19-15-7-4-8-16-19/h3-9,11-16,20H,2,10H2,1H3
InChIKeyQEBOFOGWTKEVJI-UHFFFAOYSA-N
MW292.36 g/mol
LogP4.78
Rot. Bonds5

About 1-cyclopenta-1,4-dien-1-ylpropyl(diphenyl)phosphane

1-cyclopenta-1,4-dien-1-ylpropyl(diphenyl)phosphane (PubChem CID 135850349) has the molecular formula C20H21P and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-cyclopenta-1,4-dien-1-ylpropyl(diphenyl)phosphane.

Molecular Properties

Compound Name1-cyclopenta-1,4-dien-1-ylpropyl(diphenyl)phosphane
PubChem CID135850349
Molecular FormulaC20H21P
Molecular Weight292.36 g/mol
Exact Mass292.14
IUPAC Name1-cyclopenta-1,4-dien-1-ylpropyl(diphenyl)phosphane
SMILESCCC(C1=CCC=C1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21P/c1-2-20(17-11-9-10-12-17)21(18-13-5-3-6-14-18)19-15-7-4-8-16-19/h3-9,11-16,20H,2,10H2,1H3
InChIKeyQEBOFOGWTKEVJI-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

N-[cyclopenta-1,4-dien-1-yl(phenyl)methyl]-N-ethylethanamine
CID 19033357
(1R)-1-cyclopenta-1,4-dien-1-ylpropan-1-ol
CID 12024246
(1R)-1-cyclopenta-1,4-dien-1-yl-N,N-dimethylpropan-1-amine
CID 12024248
1-cyclohexa-1,5-dien-1-ylpropylbenzene;ethane
CID 156726896
cyclopenta-1,4-dien-1-yl(diphenyl)phosphane
CID 3524393
2-[cyclohexa-1,5-dien-1-yl(phenyl)methyl]cyclohepta-1,3,5-triene;propane
CID 142964914
2-deuterio-3-diphenylphosphanyl-3-phenylpropanal
CID 139228240
hafnium;2-propan-2-ylcyclopenta-1,3-diene
CID 175311105
2-(1-ethylsulfanylethyl)cyclopenta-1,3-diene
CID 22555230
1-cyclopenta-1,4-dien-1-ylethanol;[diphenyl(trityloxy)methyl]benzene
CID 19994099
1-(1-cyclopenta-1,4-dien-1-ylbut-3-enyl)-2-methoxybenzene
CID 102102703
1-(1-cyclopenta-1,4-dien-1-ylethyl)-2-methoxybenzene
CID 22555570

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,4-dien-1-ylpropyl(diphenyl)phosphane?
The IUPAC name of 1-cyclopenta-1,4-dien-1-ylpropyl(diphenyl)phosphane (CID 135850349) is 1-cyclopenta-1,4-dien-1-ylpropyl(diphenyl)phosphane.
What is the SMILES notation for 1-cyclopenta-1,4-dien-1-ylpropyl(diphenyl)phosphane?
The canonical SMILES for 1-cyclopenta-1,4-dien-1-ylpropyl(diphenyl)phosphane is CCC(C1=CCC=C1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-cyclopenta-1,4-dien-1-ylpropyl(diphenyl)phosphane?
The InChIKey is QEBOFOGWTKEVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21P/c1-2-20(17-11-9-10-12-17)21(18-13-5-3-6-14-18)19-15-7-4-8-16-19/h3-9,11-16,20H,2,10H2,1H3.
What are the key properties of 1-cyclopenta-1,4-dien-1-ylpropyl(diphenyl)phosphane?
1-cyclopenta-1,4-dien-1-ylpropyl(diphenyl)phosphane has a molecular weight of 292.36 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,4-dien-1-ylpropyl(diphenyl)phosphane is sourced from PubChem (CID 135850349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).