2-methoxyethyl(trimethyl)phosphanium;3-methylsulfanylpropanoate

C10H23O3PS — CID 118645178

IUPAC2-methoxyethyl(trimethyl)phosphanium;3-methylsulfanylpropanoate
SMILESCOCC[P+](C)(C)C.CSCCC(=O)[O-]
InChIInChI=1S/C6H16OP.C4H8O2S/c1-7-5-6-8(2,3)4;1-7-3-2-4(5)6/h5-6H2,1-4H3;2-3H2,1H3,(H,5,6)/q+1;/p-1
InChIKeyRTWAOVNAZIXMDX-UHFFFAOYSA-M
MW254.33 g/mol
LogP1.03
Rot. Bonds6

About 2-methoxyethyl(trimethyl)phosphanium;3-methylsulfanylpropanoate

2-methoxyethyl(trimethyl)phosphanium;3-methylsulfanylpropanoate (PubChem CID 118645178) has the molecular formula C10H23O3PS and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-methoxyethyl(trimethyl)phosphanium;3-methylsulfanylpropanoate.

Molecular Properties

Compound Name2-methoxyethyl(trimethyl)phosphanium;3-methylsulfanylpropanoate
PubChem CID118645178
Molecular FormulaC10H23O3PS
Molecular Weight254.33 g/mol
Exact Mass254.11
IUPAC Name2-methoxyethyl(trimethyl)phosphanium;3-methylsulfanylpropanoate
SMILESCOCC[P+](C)(C)C.CSCCC(=O)[O-]
InChIInChI=1S/C6H16OP.C4H8O2S/c1-7-5-6-8(2,3)4;1-7-3-2-4(5)6/h5-6H2,1-4H3;2-3H2,1H3,(H,5,6)/q+1;/p-1
InChIKeyRTWAOVNAZIXMDX-UHFFFAOYSA-M
XLogP1.03
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.03
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

ethyl-[2-(2-methoxyethoxy)ethyl]-dimethylphosphanium;3-methylsulfanylpropanoate
CID 118645462
bis(2-methoxyethyl)-dimethylphosphanium;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate
CID 118645311
dibutylbismuthanylium;3-methylsulfanylpropanoate
CID 88759401
2-(2-methoxyethoxy)ethyl-trimethylphosphanium
CID 88850775
disodium;1,2-dimethoxyethane;carbonate
CID 86669059
sodium 14-methylsulfanyltetradecanoate
CID 102013140
2-[2-(2-methoxyethoxy)ethoxy]ethyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 87305409
formaldehyde;1-methoxy-2-methylsulfanylethane
CID 159879063
zinc bis(4-(1-methoxypropan-2-yloxy)-4-oxobutanoate)
CID 87576637
(2S)-2-amino-N-(4-methoxybutan-2-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119313160
(2S)-2-(2-methylsulfanylethoxy)propanoic acid
CID 104875904
calcium bis(2-amino-4-methoxybutanoate)
CID 23618824

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl(trimethyl)phosphanium;3-methylsulfanylpropanoate?
The IUPAC name of 2-methoxyethyl(trimethyl)phosphanium;3-methylsulfanylpropanoate (CID 118645178) is 2-methoxyethyl(trimethyl)phosphanium;3-methylsulfanylpropanoate.
What is the SMILES notation for 2-methoxyethyl(trimethyl)phosphanium;3-methylsulfanylpropanoate?
The canonical SMILES for 2-methoxyethyl(trimethyl)phosphanium;3-methylsulfanylpropanoate is COCC[P+](C)(C)C.CSCCC(=O)[O-].
What is the InChIKey of 2-methoxyethyl(trimethyl)phosphanium;3-methylsulfanylpropanoate?
The InChIKey is RTWAOVNAZIXMDX-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H16OP.C4H8O2S/c1-7-5-6-8(2,3)4;1-7-3-2-4(5)6/h5-6H2,1-4H3;2-3H2,1H3,(H,5,6)/q+1;/p-1.
What are the key properties of 2-methoxyethyl(trimethyl)phosphanium;3-methylsulfanylpropanoate?
2-methoxyethyl(trimethyl)phosphanium;3-methylsulfanylpropanoate has a molecular weight of 254.33 g/mol, XLogP of 1.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl(trimethyl)phosphanium;3-methylsulfanylpropanoate is sourced from PubChem (CID 118645178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).