2-[ethoxy(prop-2-enylsulfanyl)phosphoryl]oxyethanol

C7H15O4PS — CID 88761264

IUPAC2-[ethoxy(prop-2-enylsulfanyl)phosphoryl]oxyethanol
SMILESC=CCSP(=O)(OCC)OCCO
InChIInChI=1S/C7H15O4PS/c1-3-7-13-12(9,10-4-2)11-6-5-8/h3,8H,1,4-7H2,2H3
InChIKeyVCOMQZRGDLNPJL-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.06
Rot. Bonds8

About 2-[ethoxy(prop-2-enylsulfanyl)phosphoryl]oxyethanol

2-[ethoxy(prop-2-enylsulfanyl)phosphoryl]oxyethanol (PubChem CID 88761264) has the molecular formula C7H15O4PS and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-[ethoxy(prop-2-enylsulfanyl)phosphoryl]oxyethanol.

Molecular Properties

Compound Name2-[ethoxy(prop-2-enylsulfanyl)phosphoryl]oxyethanol
PubChem CID88761264
Molecular FormulaC7H15O4PS
Molecular Weight226.23 g/mol
Exact Mass226.04
IUPAC Name2-[ethoxy(prop-2-enylsulfanyl)phosphoryl]oxyethanol
SMILESC=CCSP(=O)(OCC)OCCO
InChIInChI=1S/C7H15O4PS/c1-3-7-13-12(9,10-4-2)11-6-5-8/h3,8H,1,4-7H2,2H3
InChIKeyVCOMQZRGDLNPJL-UHFFFAOYSA-N
XLogP2.06
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[prop-2-enylsulfanyl(propoxy)phosphoryl]oxypropane
CID 57288582
1-diethoxyphosphorylsulfanylbut-3-en-2-one
CID 24978000
(E)-1-diethoxyphosphorylsulfanyl-5-methoxy-3-methylpent-2-ene
CID 13181464
1-diethoxyphosphorylsulfanyl-4-methylpent-3-en-2-one
CID 100979056
methyl 2-diethoxyphosphorylsulfanylacetate
CID 121232781
1-diethoxyphosphorylsulfanyl-2-methylsulfanylethane
CID 24841778
cyclohexane;1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane
CID 23173070
3-diethoxyphosphorylprop-1-ene
CID 573014
methyl 3-diethoxyphosphorylsulfanylpropanoate
CID 12524678
4-diethoxyphosphorylhex-5-en-3-ol
CID 11031859
ethene;2-hydroxyethyl dihydrogen phosphate
CID 173023199
2-diethoxyphosphorylsulfanylethyl(triethyl)azanium
CID 29997

Frequently Asked Questions

What is the IUPAC name of 2-[ethoxy(prop-2-enylsulfanyl)phosphoryl]oxyethanol?
The IUPAC name of 2-[ethoxy(prop-2-enylsulfanyl)phosphoryl]oxyethanol (CID 88761264) is 2-[ethoxy(prop-2-enylsulfanyl)phosphoryl]oxyethanol.
What is the SMILES notation for 2-[ethoxy(prop-2-enylsulfanyl)phosphoryl]oxyethanol?
The canonical SMILES for 2-[ethoxy(prop-2-enylsulfanyl)phosphoryl]oxyethanol is C=CCSP(=O)(OCC)OCCO.
What is the InChIKey of 2-[ethoxy(prop-2-enylsulfanyl)phosphoryl]oxyethanol?
The InChIKey is VCOMQZRGDLNPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O4PS/c1-3-7-13-12(9,10-4-2)11-6-5-8/h3,8H,1,4-7H2,2H3.
What are the key properties of 2-[ethoxy(prop-2-enylsulfanyl)phosphoryl]oxyethanol?
2-[ethoxy(prop-2-enylsulfanyl)phosphoryl]oxyethanol has a molecular weight of 226.23 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxy(prop-2-enylsulfanyl)phosphoryl]oxyethanol is sourced from PubChem (CID 88761264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).