2-acetyloxyethyl(trimethyl)azanium;phosphane

C7H19NO2P+ — CID 172811747

IUPAC2-acetyloxyethyl(trimethyl)azanium;phosphane
SMILESCC(=O)OCC[N+](C)(C)C.P
InChIInChI=1S/C7H16NO2.H3P/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H3/q+1;
InChIKeySGPLVIPWPFRTGW-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.31
Rot. Bonds3

About 2-acetyloxyethyl(trimethyl)azanium;phosphane

2-acetyloxyethyl(trimethyl)azanium;phosphane (PubChem CID 172811747) has the molecular formula C7H19NO2P+ and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-acetyloxyethyl(trimethyl)azanium;phosphane.

Molecular Properties

Compound Name2-acetyloxyethyl(trimethyl)azanium;phosphane
PubChem CID172811747
Molecular FormulaC7H19NO2P+
Molecular Weight180.21 g/mol
Exact Mass180.11
IUPAC Name2-acetyloxyethyl(trimethyl)azanium;phosphane
SMILESCC(=O)OCC[N+](C)(C)C.P
InChIInChI=1S/C7H16NO2.H3P/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H3/q+1;
InChIKeySGPLVIPWPFRTGW-UHFFFAOYSA-N
XLogP0.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-acetyloxyethyl(trimethyl)azanium bromide
CID 547020
calcium;2-acetyloxyethyl(trimethyl)azanium;hydride
CID 174840890
CID 158732412
CID 158732412
CID 174726495
CID 174726495
2-acetyloxyethyl(trimethyl)azanium;hydrogen sulfate
CID 71365429
2-acetyloxyethyl(trimethyl)azanium;2-hydroxypropanoic acid
CID 158766752
2-acetyloxyethyl(trimethyl)azanium;2-(trimethylazaniumyl)ethyl phosphate
CID 87534294
2-acetyloxyethyl-tris(trideuteriomethyl)azanium bromide
CID 45038079
2-acetyloxyethyl(trimethyl)azanium;ethyl hydrogen sulfate
CID 174896043
2-acetyloxyethyl(trimethyl)azanium;ethyl sulfate
CID 135203453
2-acetyloxy-N,N-dimethylethanamine oxide;hydrochloride
CID 91621430
barium(2+);2-carbamoyloxyethyl(trimethyl)azanium
CID 88516621

Frequently Asked Questions

What is the IUPAC name of 2-acetyloxyethyl(trimethyl)azanium;phosphane?
The IUPAC name of 2-acetyloxyethyl(trimethyl)azanium;phosphane (CID 172811747) is 2-acetyloxyethyl(trimethyl)azanium;phosphane.
What is the SMILES notation for 2-acetyloxyethyl(trimethyl)azanium;phosphane?
The canonical SMILES for 2-acetyloxyethyl(trimethyl)azanium;phosphane is CC(=O)OCC[N+](C)(C)C.P.
What is the InChIKey of 2-acetyloxyethyl(trimethyl)azanium;phosphane?
The InChIKey is SGPLVIPWPFRTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO2.H3P/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H3/q+1;.
What are the key properties of 2-acetyloxyethyl(trimethyl)azanium;phosphane?
2-acetyloxyethyl(trimethyl)azanium;phosphane has a molecular weight of 180.21 g/mol, XLogP of 0.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxyethyl(trimethyl)azanium;phosphane is sourced from PubChem (CID 172811747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).