tributyl(1-phenylethenyl)phosphanium

C20H34P+ — CID 71320893

IUPACtributyl(1-phenylethenyl)phosphanium
SMILESC=C(c1ccccc1)[P+](CCCC)(CCCC)CCCC
InChIInChI=1S/C20H34P/c1-5-8-16-21(17-9-6-2,18-10-7-3)19(4)20-14-12-11-13-15-20/h11-15H,4-10,16-18H2,1-3H3/q+1
InChIKeyHAOUKCXYSZYAOG-UHFFFAOYSA-N
MW305.47 g/mol
LogP7.08
Rot. Bonds11

About tributyl(1-phenylethenyl)phosphanium

tributyl(1-phenylethenyl)phosphanium (PubChem CID 71320893) has the molecular formula C20H34P+ and a molecular weight of 305.47 g/mol. Its IUPAC name is tributyl(1-phenylethenyl)phosphanium.

Molecular Properties

Compound Nametributyl(1-phenylethenyl)phosphanium
PubChem CID71320893
Molecular FormulaC20H34P+
Molecular Weight305.47 g/mol
Exact Mass305.24
IUPAC Nametributyl(1-phenylethenyl)phosphanium
SMILESC=C(c1ccccc1)[P+](CCCC)(CCCC)CCCC
InChIInChI=1S/C20H34P/c1-5-8-16-21(17-9-6-2,18-10-7-3)19(4)20-14-12-11-13-15-20/h11-15H,4-10,16-18H2,1-3H3/q+1
InChIKeyHAOUKCXYSZYAOG-UHFFFAOYSA-N
XLogP7.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.47
LogP ≤ 57.08
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

oct-1-en-3-yn-2-ylbenzene
CID 86242377
[3-butyl-4,5-dimethylidene-6-(2-phenylethynyl)dec-1-ynyl]benzene
CID 12964189
(1S)-1-phenylpentan-1-ol
CID 6992754
2-fluorohept-1-en-3-ylbenzene
CID 102089822
2-fluoro-1-phenylhexan-1-one
CID 165359070
(2S)-2-amino-1-phenylhexan-1-one
CID 139626010
benzoic acid;decan-5-ol
CID 71345643
3-chloro-1-phenylheptan-1-one
CID 11775823
diphenylmethanone;3-methylheptane
CID 174880774
3-(difluoromethylidene)hept-1-en-2-ylbenzene
CID 10911134
phenol;tetrabutylphosphanium
CID 20524943
butyl-tris(1-phenylethenyl)boranuide
CID 173338023

Frequently Asked Questions

What is the IUPAC name of tributyl(1-phenylethenyl)phosphanium?
The IUPAC name of tributyl(1-phenylethenyl)phosphanium (CID 71320893) is tributyl(1-phenylethenyl)phosphanium.
What is the SMILES notation for tributyl(1-phenylethenyl)phosphanium?
The canonical SMILES for tributyl(1-phenylethenyl)phosphanium is C=C(c1ccccc1)[P+](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl(1-phenylethenyl)phosphanium?
The InChIKey is HAOUKCXYSZYAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34P/c1-5-8-16-21(17-9-6-2,18-10-7-3)19(4)20-14-12-11-13-15-20/h11-15H,4-10,16-18H2,1-3H3/q+1.
What are the key properties of tributyl(1-phenylethenyl)phosphanium?
tributyl(1-phenylethenyl)phosphanium has a molecular weight of 305.47 g/mol, XLogP of 7.08, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(1-phenylethenyl)phosphanium is sourced from PubChem (CID 71320893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).