tributyl-(4-ethenylphenyl)-methyl-λ5-phosphane

C21H37P — CID 173110972

IUPACtributyl-(4-ethenylphenyl)-methyl-λ5-phosphane
SMILESC=Cc1ccc(P(C)(CCCC)(CCCC)CCCC)cc1
InChIInChI=1S/C21H37P/c1-6-10-17-22(5,18-11-7-2,19-12-8-3)21-15-13-20(9-4)14-16-21/h9,13-16H,4,6-8,10-12,17-19H2,1-3,5H3
InChIKeyFQOPQXOXBBUUQE-UHFFFAOYSA-N
MW320.50 g/mol
LogP6.54
Rot. Bonds11

About tributyl-(4-ethenylphenyl)-methyl-λ5-phosphane

tributyl-(4-ethenylphenyl)-methyl-λ5-phosphane (PubChem CID 173110972) has the molecular formula C21H37P and a molecular weight of 320.50 g/mol. Its IUPAC name is tributyl-(4-ethenylphenyl)-methyl-λ5-phosphane.

Molecular Properties

Compound Nametributyl-(4-ethenylphenyl)-methyl-λ5-phosphane
PubChem CID173110972
Molecular FormulaC21H37P
Molecular Weight320.50 g/mol
Exact Mass320.26
IUPAC Nametributyl-(4-ethenylphenyl)-methyl-λ5-phosphane
SMILESC=Cc1ccc(P(C)(CCCC)(CCCC)CCCC)cc1
InChIInChI=1S/C21H37P/c1-6-10-17-22(5,18-11-7-2,19-12-8-3)21-15-13-20(9-4)14-16-21/h9,13-16H,4,6-8,10-12,17-19H2,1-3,5H3
InChIKeyFQOPQXOXBBUUQE-UHFFFAOYSA-N
XLogP6.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.50
LogP ≤ 56.54
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

Toluene
CID 1140
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
P-Xylene
CID 7809
Butylbenzene
CID 7705
1-Ethenyl-4-methylbenzene
CID 12161
Pentylbenzene
CID 10864
Propylbenzene
CID 7668
Allylbenzene
CID 9309
trans-beta-METHYLSTYRENE
CID 252325
Hexylbenzene
CID 14109

Frequently Asked Questions

What is the IUPAC name of tributyl-(4-ethenylphenyl)-methyl-λ5-phosphane?
The IUPAC name of tributyl-(4-ethenylphenyl)-methyl-λ5-phosphane (CID 173110972) is tributyl-(4-ethenylphenyl)-methyl-λ5-phosphane.
What is the SMILES notation for tributyl-(4-ethenylphenyl)-methyl-λ5-phosphane?
The canonical SMILES for tributyl-(4-ethenylphenyl)-methyl-λ5-phosphane is C=Cc1ccc(P(C)(CCCC)(CCCC)CCCC)cc1.
What is the InChIKey of tributyl-(4-ethenylphenyl)-methyl-λ5-phosphane?
The InChIKey is FQOPQXOXBBUUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37P/c1-6-10-17-22(5,18-11-7-2,19-12-8-3)21-15-13-20(9-4)14-16-21/h9,13-16H,4,6-8,10-12,17-19H2,1-3,5H3.
What are the key properties of tributyl-(4-ethenylphenyl)-methyl-λ5-phosphane?
tributyl-(4-ethenylphenyl)-methyl-λ5-phosphane has a molecular weight of 320.50 g/mol, XLogP of 6.54, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(4-ethenylphenyl)-methyl-λ5-phosphane is sourced from PubChem (CID 173110972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).