tributyl(1,3-dioxolan-2-ylmethyl)phosphanium bromide

C16H34BrO2P — CID 22292430

IUPACtributyl(1,3-dioxolan-2-ylmethyl)phosphanium bromide
SMILESCCCC[P+](CCCC)(CCCC)CC1OCCO1.[Br-]
InChIInChI=1S/C16H34O2P.BrH/c1-4-7-12-19(13-8-5-2,14-9-6-3)15-16-17-10-11-18-16;/h16H,4-15H2,1-3H3;1H/q+1;/p-1
InChIKeySABIECHYMHKXJI-UHFFFAOYSA-M
MW369.32 g/mol
LogP1.78
Rot. Bonds11

About tributyl(1,3-dioxolan-2-ylmethyl)phosphanium bromide

tributyl(1,3-dioxolan-2-ylmethyl)phosphanium bromide (PubChem CID 22292430) has the molecular formula C16H34BrO2P and a molecular weight of 369.32 g/mol. Its IUPAC name is tributyl(1,3-dioxolan-2-ylmethyl)phosphanium bromide.

Molecular Properties

Compound Nametributyl(1,3-dioxolan-2-ylmethyl)phosphanium bromide
PubChem CID22292430
Molecular FormulaC16H34BrO2P
Molecular Weight369.32 g/mol
Exact Mass368.15
IUPAC Nametributyl(1,3-dioxolan-2-ylmethyl)phosphanium bromide
SMILESCCCC[P+](CCCC)(CCCC)CC1OCCO1.[Br-]
InChIInChI=1S/C16H34O2P.BrH/c1-4-7-12-19(13-8-5-2,14-9-6-3)15-16-17-10-11-18-16;/h16H,4-15H2,1-3H3;1H/q+1;/p-1
InChIKeySABIECHYMHKXJI-UHFFFAOYSA-M
XLogP1.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.32
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tributyl(1,3-dioxan-2-ylmethyl)phosphanium bromide
CID 18705686
2-(2-octyldecyl)-1,3-dioxolane
CID 68995066
stibane;tetrabutylphosphanium;hexahydrofluoride
CID 172998203
tetrabutylphosphanium;fluoride;dihydrofluoride
CID 11823303
tributyl-[[4-(1,3-dioxolan-2-yl)phenyl]methyl]phosphanium
CID 71377578
tetrabutylphosphanium;tin(4+)
CID 160650774
tributyl(pentadecyl)phosphanium bromide
CID 86639781
1-(1,3-dioxolan-2-yl)-N-propylbutan-2-amine
CID 103546362
tributyl(3-methylbut-2-enyl)phosphanium bromide
CID 25023490
2-(2-ethylhexyl)oxetane
CID 158420180
tributyl(9-tributylphosphaniumylnonyl)phosphanium
CID 59839708
1-(1,3-dioxolan-2-yl)pentyl acetate
CID 10058668

Frequently Asked Questions

What is the IUPAC name of tributyl(1,3-dioxolan-2-ylmethyl)phosphanium bromide?
The IUPAC name of tributyl(1,3-dioxolan-2-ylmethyl)phosphanium bromide (CID 22292430) is tributyl(1,3-dioxolan-2-ylmethyl)phosphanium bromide.
What is the SMILES notation for tributyl(1,3-dioxolan-2-ylmethyl)phosphanium bromide?
The canonical SMILES for tributyl(1,3-dioxolan-2-ylmethyl)phosphanium bromide is CCCC[P+](CCCC)(CCCC)CC1OCCO1.[Br-].
What is the InChIKey of tributyl(1,3-dioxolan-2-ylmethyl)phosphanium bromide?
The InChIKey is SABIECHYMHKXJI-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H34O2P.BrH/c1-4-7-12-19(13-8-5-2,14-9-6-3)15-16-17-10-11-18-16;/h16H,4-15H2,1-3H3;1H/q+1;/p-1.
What are the key properties of tributyl(1,3-dioxolan-2-ylmethyl)phosphanium bromide?
tributyl(1,3-dioxolan-2-ylmethyl)phosphanium bromide has a molecular weight of 369.32 g/mol, XLogP of 1.78, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(1,3-dioxolan-2-ylmethyl)phosphanium bromide is sourced from PubChem (CID 22292430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).