tributyl-[3-[2-(3-oxo-3-propan-2-yloxypropyl)-1,3-dioxolan-2-yl]propyl]phosphanium

C24H48O4P+ — CID 71276911

IUPACtributyl-[3-[2-(3-oxo-3-propan-2-yloxypropyl)-1,3-dioxolan-2-yl]propyl]phosphanium
SMILESCCCC[P+](CCCC)(CCCC)CCCC1(CCC(=O)OC(C)C)OCCO1
InChIInChI=1S/C24H48O4P/c1-6-9-18-29(19-10-7-2,20-11-8-3)21-12-14-24(26-16-17-27-24)15-13-23(25)28-22(4)5/h22H,6-21H2,1-5H3/q+1
InChIKeyBOEPIZYUTOHGCN-UHFFFAOYSA-N
MW431.62 g/mol
LogP6.66
Rot. Bonds17

About tributyl-[3-[2-(3-oxo-3-propan-2-yloxypropyl)-1,3-dioxolan-2-yl]propyl]phosphanium

tributyl-[3-[2-(3-oxo-3-propan-2-yloxypropyl)-1,3-dioxolan-2-yl]propyl]phosphanium (PubChem CID 71276911) has the molecular formula C24H48O4P+ and a molecular weight of 431.62 g/mol. Its IUPAC name is tributyl-[3-[2-(3-oxo-3-propan-2-yloxypropyl)-1,3-dioxolan-2-yl]propyl]phosphanium.

Molecular Properties

Compound Nametributyl-[3-[2-(3-oxo-3-propan-2-yloxypropyl)-1,3-dioxolan-2-yl]propyl]phosphanium
PubChem CID71276911
Molecular FormulaC24H48O4P+
Molecular Weight431.62 g/mol
Exact Mass431.33
IUPAC Nametributyl-[3-[2-(3-oxo-3-propan-2-yloxypropyl)-1,3-dioxolan-2-yl]propyl]phosphanium
SMILESCCCC[P+](CCCC)(CCCC)CCCC1(CCC(=O)OC(C)C)OCCO1
InChIInChI=1S/C24H48O4P/c1-6-9-18-29(19-10-7-2,20-11-8-3)21-12-14-24(26-16-17-27-24)15-13-23(25)28-22(4)5/h22H,6-21H2,1-5H3/q+1
InChIKeyBOEPIZYUTOHGCN-UHFFFAOYSA-N
XLogP6.66
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.62
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 3-[2-[3-[3-[bromo(tributyl)-λ5-phosphanyl]propylamino]-3-oxopropyl]-1,3-dioxolan-2-yl]propanoate
CID 140652689
[4-amino-6-[2-(2-carboxyethyl)-1,3-dioxolan-2-yl]hexyl]-tributylphosphanium
CID 66584997
propan-2-yl 7-[5-oxo-2-[2-(2-pentyl-1,3-dioxolan-2-yl)ethyl]cyclopenten-1-yl]hept-5-enoate
CID 91337603
propan-2-yl undecanoate
CID 3016538
propan-2-yl dodecanoate;titanium(2+)
CID 18314327
propan-2-yl (Z)-7-[(1R,2R,3R)-3-(iodomethyl)-5-oxo-2-[2-(2-pentyl-1,3-dioxolan-2-yl)ethyl]cyclopentyl]hept-5-enoate
CID 59773076
propan-2-yl 7-[(1R,2S,3R)-2-[2-(2-heptyl-1,3-dioxolan-2-yl)ethyl]-3-(hydroxymethyl)-5-oxocyclopentyl]hept-5-enoate
CID 66624070
octan-4-yl hexadecanoate;propan-2-yl hexadecanoate
CID 159562014
propan-2-yl 5-hydroxydodecanoate
CID 14065444
tributyl(3-oxobutyl)phosphanium
CID 102322083
hexadecanoic acid;propan-2-yl octadecanoate
CID 88712147
methyl hexadecanoate;propan-2-yl hexadecanoate
CID 157210110

Frequently Asked Questions

What is the IUPAC name of tributyl-[3-[2-(3-oxo-3-propan-2-yloxypropyl)-1,3-dioxolan-2-yl]propyl]phosphanium?
The IUPAC name of tributyl-[3-[2-(3-oxo-3-propan-2-yloxypropyl)-1,3-dioxolan-2-yl]propyl]phosphanium (CID 71276911) is tributyl-[3-[2-(3-oxo-3-propan-2-yloxypropyl)-1,3-dioxolan-2-yl]propyl]phosphanium.
What is the SMILES notation for tributyl-[3-[2-(3-oxo-3-propan-2-yloxypropyl)-1,3-dioxolan-2-yl]propyl]phosphanium?
The canonical SMILES for tributyl-[3-[2-(3-oxo-3-propan-2-yloxypropyl)-1,3-dioxolan-2-yl]propyl]phosphanium is CCCC[P+](CCCC)(CCCC)CCCC1(CCC(=O)OC(C)C)OCCO1.
What is the InChIKey of tributyl-[3-[2-(3-oxo-3-propan-2-yloxypropyl)-1,3-dioxolan-2-yl]propyl]phosphanium?
The InChIKey is BOEPIZYUTOHGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O4P/c1-6-9-18-29(19-10-7-2,20-11-8-3)21-12-14-24(26-16-17-27-24)15-13-23(25)28-22(4)5/h22H,6-21H2,1-5H3/q+1.
What are the key properties of tributyl-[3-[2-(3-oxo-3-propan-2-yloxypropyl)-1,3-dioxolan-2-yl]propyl]phosphanium?
tributyl-[3-[2-(3-oxo-3-propan-2-yloxypropyl)-1,3-dioxolan-2-yl]propyl]phosphanium has a molecular weight of 431.62 g/mol, XLogP of 6.66, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[3-[2-(3-oxo-3-propan-2-yloxypropyl)-1,3-dioxolan-2-yl]propyl]phosphanium is sourced from PubChem (CID 71276911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).