tributyl(2-methoxypropyl)phosphanium acetate

C18H39O3P — CID 87276680

IUPACtributyl(2-methoxypropyl)phosphanium acetate
SMILESCC(=O)[O-].CCCC[P+](CCCC)(CCCC)CC(C)OC
InChIInChI=1S/C16H36OP.C2H4O2/c1-6-9-12-18(13-10-7-2,14-11-8-3)15-16(4)17-5;1-2(3)4/h16H,6-15H2,1-5H3;1H3,(H,3,4)/q+1;/p-1
InChIKeyRJQOTGXQEMQSQF-UHFFFAOYSA-M
MW334.48 g/mol
LogP4.20
Rot. Bonds12

About tributyl(2-methoxypropyl)phosphanium acetate

tributyl(2-methoxypropyl)phosphanium acetate (PubChem CID 87276680) has the molecular formula C18H39O3P and a molecular weight of 334.48 g/mol. Its IUPAC name is tributyl(2-methoxypropyl)phosphanium acetate.

Molecular Properties

Compound Nametributyl(2-methoxypropyl)phosphanium acetate
PubChem CID87276680
Molecular FormulaC18H39O3P
Molecular Weight334.48 g/mol
Exact Mass334.26
IUPAC Nametributyl(2-methoxypropyl)phosphanium acetate
SMILESCC(=O)[O-].CCCC[P+](CCCC)(CCCC)CC(C)OC
InChIInChI=1S/C16H36OP.C2H4O2/c1-6-9-12-18(13-10-7-2,14-11-8-3)15-16(4)17-5;1-2(3)4/h16H,6-15H2,1-5H3;1H3,(H,3,4)/q+1;/p-1
InChIKeyRJQOTGXQEMQSQF-UHFFFAOYSA-M
XLogP4.20
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tributyl(2-methoxypropyl)phosphanium
CID 3025687
phosphanium;acetic acid;tetrabutylphosphanium;diacetate
CID 159655979
hydrogen carbonate;bis(tetrabutylphosphanium)
CID 139200490
ethane;2-methoxyhexane
CID 91199174
1-hexan-2-yloxyethyl acetate
CID 87208887
hexan-2-yl acetate;3-methoxybutyl acetate
CID 161348178
zinc;hexane;diacetate
CID 174575867
(2R)-2-methylhexanoate
CID 6999857
hexan-2-yl acetate;methane
CID 159910641
1-methoxypentyl acetate
CID 18000534
tetrabutylphosphanium;2,2,2-trifluoroacetate
CID 87558348
tributyl(3-oxobutyl)phosphanium
CID 102322083

Frequently Asked Questions

What is the IUPAC name of tributyl(2-methoxypropyl)phosphanium acetate?
The IUPAC name of tributyl(2-methoxypropyl)phosphanium acetate (CID 87276680) is tributyl(2-methoxypropyl)phosphanium acetate.
What is the SMILES notation for tributyl(2-methoxypropyl)phosphanium acetate?
The canonical SMILES for tributyl(2-methoxypropyl)phosphanium acetate is CC(=O)[O-].CCCC[P+](CCCC)(CCCC)CC(C)OC.
What is the InChIKey of tributyl(2-methoxypropyl)phosphanium acetate?
The InChIKey is RJQOTGXQEMQSQF-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H36OP.C2H4O2/c1-6-9-12-18(13-10-7-2,14-11-8-3)15-16(4)17-5;1-2(3)4/h16H,6-15H2,1-5H3;1H3,(H,3,4)/q+1;/p-1.
What are the key properties of tributyl(2-methoxypropyl)phosphanium acetate?
tributyl(2-methoxypropyl)phosphanium acetate has a molecular weight of 334.48 g/mol, XLogP of 4.20, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(2-methoxypropyl)phosphanium acetate is sourced from PubChem (CID 87276680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).