4,4-dimethylpentyl-diethyl-phenylphosphanium;4,4-dimethylpentyl-diethyl-prop-2-enylphosphanium;4,4-dimethylpentyl-diphenyl-prop-2-enylphosphanium;4,4-dimethylpentyl-ethyl-diphenylphosphanium;4,4-dimethylpentyl(triethyl)phosphanium;4,4-dimethylpentyl(triphenyl)phosphanium

C112H180P6+6 — CID 161162203

IUPAC4,4-dimethylpentyl-diethyl-phenylphosphanium;4,4-dimethylpentyl-diethyl-prop-2-enylphosphanium;4,4-dimethylpentyl-diphenyl-prop-2-enylphosphanium;4,4-dimethylpentyl-ethyl-diphenylphosphanium;4,4-dimethylpentyl(triethyl)phosphanium;4,4-dimethylpentyl(triphenyl)phosphanium
SMILESC=CC[P+](CC)(CC)CCCC(C)(C)C.C=CC[P+](CCCC(C)(C)C)(c1ccccc1)c1ccccc1.CC(C)(C)CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.CC[P+](CC)(CC)CCCC(C)(C)C.CC[P+](CC)(CCCC(C)(C)C)c1ccccc1.CC[P+](CCCC(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H30P.C22H30P.C21H30P.C17H30P.C14H30P.C13H30P/c1-25(2,3)20-13-21-26(22-14-7-4-8-15-22,23-16-9-5-10-17-23)24-18-11-6-12-19-24;1-5-18-23(19-12-17-22(2,3)4,20-13-8-6-9-14-20)21-15-10-7-11-16-21;1-5-22(18-12-17-21(2,3)4,19-13-8-6-9-14-19)20-15-10-7-11-16-20;1-6-18(7-2,15-11-14-17(3,4)5)16-12-9-8-10-13-16;1-7-12-15(8-2,9-3)13-10-11-14(4,5)6;1-7-14(8-2,9-3)12-10-11-13(4,5)6/h4-12,14-19H,13,20-21H2,1-3H3;5-11,13-16H,1,12,17-19H2,2-4H3;6-11,13-16H,5,12,17-18H2,1-4H3;8-10,12-13H,6-7,11,14-15H2,1-5H3;7H,1,8-13H2,2-6H3;7-12H2,1-6H3/q6*+1
InChIKeyUQBIXBVACBUBOD-UHFFFAOYSA-N
MW1712.52 g/mol
LogP32.12
Rot. Bonds38

About 4,4-dimethylpentyl-diethyl-phenylphosphanium;4,4-dimethylpentyl-diethyl-prop-2-enylphosphanium;4,4-dimethylpentyl-diphenyl-prop-2-enylphosphanium;4,4-dimethylpentyl-ethyl-diphenylphosphanium;4,4-dimethylpentyl(triethyl)phosphanium;4,4-dimethylpentyl(triphenyl)phosphanium

4,4-dimethylpentyl-diethyl-phenylphosphanium;4,4-dimethylpentyl-diethyl-prop-2-enylphosphanium;4,4-dimethylpentyl-diphenyl-prop-2-enylphosphanium;4,4-dimethylpentyl-ethyl-diphenylphosphanium;4,4-dimethylpentyl(triethyl)phosphanium;4,4-dimethylpentyl(triphenyl)phosphanium (PubChem CID 161162203) has the molecular formula C112H180P6+6 and a molecular weight of 1712.52 g/mol. Its IUPAC name is 4,4-dimethylpentyl-diethyl-phenylphosphanium;4,4-dimethylpentyl-diethyl-prop-2-enylphosphanium;4,4-dimethylpentyl-diphenyl-prop-2-enylphosphanium;4,4-dimethylpentyl-ethyl-diphenylphosphanium;4,4-dimethylpentyl(triethyl)phosphanium;4,4-dimethylpentyl(triphenyl)phosphanium.

Molecular Properties

Compound Name4,4-dimethylpentyl-diethyl-phenylphosphanium;4,4-dimethylpentyl-diethyl-prop-2-enylphosphanium;4,4-dimethylpentyl-diphenyl-prop-2-enylphosphanium;4,4-dimethylpentyl-ethyl-diphenylphosphanium;4,4-dimethylpentyl(triethyl)phosphanium;4,4-dimethylpentyl(triphenyl)phosphanium
PubChem CID161162203
Molecular FormulaC112H180P6+6
Molecular Weight1712.52 g/mol
Exact Mass1711.25
IUPAC Name4,4-dimethylpentyl-diethyl-phenylphosphanium;4,4-dimethylpentyl-diethyl-prop-2-enylphosphanium;4,4-dimethylpentyl-diphenyl-prop-2-enylphosphanium;4,4-dimethylpentyl-ethyl-diphenylphosphanium;4,4-dimethylpentyl(triethyl)phosphanium;4,4-dimethylpentyl(triphenyl)phosphanium
SMILESC=CC[P+](CC)(CC)CCCC(C)(C)C.C=CC[P+](CCCC(C)(C)C)(c1ccccc1)c1ccccc1.CC(C)(C)CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.CC[P+](CC)(CC)CCCC(C)(C)C.CC[P+](CC)(CCCC(C)(C)C)c1ccccc1.CC[P+](CCCC(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H30P.C22H30P.C21H30P.C17H30P.C14H30P.C13H30P/c1-25(2,3)20-13-21-26(22-14-7-4-8-15-22,23-16-9-5-10-17-23)24-18-11-6-12-19-24;1-5-18-23(19-12-17-22(2,3)4,20-13-8-6-9-14-20)21-15-10-7-11-16-21;1-5-22(18-12-17-21(2,3)4,19-13-8-6-9-14-19)20-15-10-7-11-16-20;1-6-18(7-2,15-11-14-17(3,4)5)16-12-9-8-10-13-16;1-7-12-15(8-2,9-3)13-10-11-14(4,5)6;1-7-14(8-2,9-3)12-10-11-13(4,5)6/h4-12,14-19H,13,20-21H2,1-3H3;5-11,13-16H,1,12,17-19H2,2-4H3;6-11,13-16H,5,12,17-18H2,1-4H3;8-10,12-13H,6-7,11,14-15H2,1-5H3;7H,1,8-13H2,2-6H3;7-12H2,1-6H3/q6*+1
InChIKeyUQBIXBVACBUBOD-UHFFFAOYSA-N
XLogP32.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds38
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001712.52
LogP ≤ 532.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4,4-dimethylpentyl-diethyl-phenylphosphanium;4,4-dimethylpentyl-diethyl-prop-2-enylphosphanium;4,4-dimethylpentyl-diphenyl-prop-2-enylphosphanium;4,4-dimethylpentyl-ethyl-diphenylphosphanium;4,4-dimethylpentyl(triethyl)phosphanium;4,4-dimethylpentyl(triphenyl)phosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tetrakis(triphenylphosphine)palladium
CID 11979704
Stryker's reagent
CID 11982471
(p-Phenylenebis(methylene))bis(triphenylphosphonium) dichloride
CID 168940
Bis(2-(diphenylphosphino)ethyl)phenylphosphine
CID 90192
(T-4)-Iodotris(triphenylphosphine)copper
CID 11389026
Bis(2-(diphenylarsino)ethyl)(phenyl)phosphine
CID 90194
Tris(2-(diphenylphosphino)ethyl)phosphine
CID 98777
1,1,1-Tris(diphenylphosphinomethyl)ethane
CID 423856
Trichloro[1,1,1-tris(diphenylphosphinomethyl)ethane]rhodium(III)
CID 492259
1,3-Bis(diphenylphosphino)benzene
CID 635008
1,6-Bis(diphenylphosphino)hexane
CID 2754312
Platinum, tetrakis(triphenylphosphine)-, (T-4)-
CID 11979705

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylpentyl-diethyl-phenylphosphanium;4,4-dimethylpentyl-diethyl-prop-2-enylphosphanium;4,4-dimethylpentyl-diphenyl-prop-2-enylphosphanium;4,4-dimethylpentyl-ethyl-diphenylphosphanium;4,4-dimethylpentyl(triethyl)phosphanium;4,4-dimethylpentyl(triphenyl)phosphanium?
The IUPAC name of 4,4-dimethylpentyl-diethyl-phenylphosphanium;4,4-dimethylpentyl-diethyl-prop-2-enylphosphanium;4,4-dimethylpentyl-diphenyl-prop-2-enylphosphanium;4,4-dimethylpentyl-ethyl-diphenylphosphanium;4,4-dimethylpentyl(triethyl)phosphanium;4,4-dimethylpentyl(triphenyl)phosphanium (CID 161162203) is 4,4-dimethylpentyl-diethyl-phenylphosphanium;4,4-dimethylpentyl-diethyl-prop-2-enylphosphanium;4,4-dimethylpentyl-diphenyl-prop-2-enylphosphanium;4,4-dimethylpentyl-ethyl-diphenylphosphanium;4,4-dimethylpentyl(triethyl)phosphanium;4,4-dimethylpentyl(triphenyl)phosphanium.
What is the SMILES notation for 4,4-dimethylpentyl-diethyl-phenylphosphanium;4,4-dimethylpentyl-diethyl-prop-2-enylphosphanium;4,4-dimethylpentyl-diphenyl-prop-2-enylphosphanium;4,4-dimethylpentyl-ethyl-diphenylphosphanium;4,4-dimethylpentyl(triethyl)phosphanium;4,4-dimethylpentyl(triphenyl)phosphanium?
The canonical SMILES for 4,4-dimethylpentyl-diethyl-phenylphosphanium;4,4-dimethylpentyl-diethyl-prop-2-enylphosphanium;4,4-dimethylpentyl-diphenyl-prop-2-enylphosphanium;4,4-dimethylpentyl-ethyl-diphenylphosphanium;4,4-dimethylpentyl(triethyl)phosphanium;4,4-dimethylpentyl(triphenyl)phosphanium is C=CC[P+](CC)(CC)CCCC(C)(C)C.C=CC[P+](CCCC(C)(C)C)(c1ccccc1)c1ccccc1.CC(C)(C)CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.CC[P+](CC)(CC)CCCC(C)(C)C.CC[P+](CC)(CCCC(C)(C)C)c1ccccc1.CC[P+](CCCC(C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4,4-dimethylpentyl-diethyl-phenylphosphanium;4,4-dimethylpentyl-diethyl-prop-2-enylphosphanium;4,4-dimethylpentyl-diphenyl-prop-2-enylphosphanium;4,4-dimethylpentyl-ethyl-diphenylphosphanium;4,4-dimethylpentyl(triethyl)phosphanium;4,4-dimethylpentyl(triphenyl)phosphanium?
The InChIKey is UQBIXBVACBUBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30P.C22H30P.C21H30P.C17H30P.C14H30P.C13H30P/c1-25(2,3)20-13-21-26(22-14-7-4-8-15-22,23-16-9-5-10-17-23)24-18-11-6-12-19-24;1-5-18-23(19-12-17-22(2,3)4,20-13-8-6-9-14-20)21-15-10-7-11-16-21;1-5-22(18-12-17-21(2,3)4,19-13-8-6-9-14-19)20-15-10-7-11-16-20;1-6-18(7-2,15-11-14-17(3,4)5)16-12-9-8-10-13-16;1-7-12-15(8-2,9-3)13-10-11-14(4,5)6;1-7-14(8-2,9-3)12-10-11-13(4,5)6/h4-12,14-19H,13,20-21H2,1-3H3;5-11,13-16H,1,12,17-19H2,2-4H3;6-11,13-16H,5,12,17-18H2,1-4H3;8-10,12-13H,6-7,11,14-15H2,1-5H3;7H,1,8-13H2,2-6H3;7-12H2,1-6H3/q6*+1.
What are the key properties of 4,4-dimethylpentyl-diethyl-phenylphosphanium;4,4-dimethylpentyl-diethyl-prop-2-enylphosphanium;4,4-dimethylpentyl-diphenyl-prop-2-enylphosphanium;4,4-dimethylpentyl-ethyl-diphenylphosphanium;4,4-dimethylpentyl(triethyl)phosphanium;4,4-dimethylpentyl(triphenyl)phosphanium?
4,4-dimethylpentyl-diethyl-phenylphosphanium;4,4-dimethylpentyl-diethyl-prop-2-enylphosphanium;4,4-dimethylpentyl-diphenyl-prop-2-enylphosphanium;4,4-dimethylpentyl-ethyl-diphenylphosphanium;4,4-dimethylpentyl(triethyl)phosphanium;4,4-dimethylpentyl(triphenyl)phosphanium has a molecular weight of 1712.52 g/mol, XLogP of 32.12, 38 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylpentyl-diethyl-phenylphosphanium;4,4-dimethylpentyl-diethyl-prop-2-enylphosphanium;4,4-dimethylpentyl-diphenyl-prop-2-enylphosphanium;4,4-dimethylpentyl-ethyl-diphenylphosphanium;4,4-dimethylpentyl(triethyl)phosphanium;4,4-dimethylpentyl(triphenyl)phosphanium is sourced from PubChem (CID 161162203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).