2-(2-diethoxyphosphorylethylsulfanyl)-2-methylpropane

C10H23O3PS — CID 71385662

IUPAC2-(2-diethoxyphosphorylethylsulfanyl)-2-methylpropane
SMILESCCOP(=O)(CCSC(C)(C)C)OCC
InChIInChI=1S/C10H23O3PS/c1-6-12-14(11,13-7-2)8-9-15-10(3,4)5/h6-9H2,1-5H3
InChIKeyNHJAGKPHBOTNFW-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.78
Rot. Bonds7

About 2-(2-diethoxyphosphorylethylsulfanyl)-2-methylpropane

2-(2-diethoxyphosphorylethylsulfanyl)-2-methylpropane (PubChem CID 71385662) has the molecular formula C10H23O3PS and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(2-diethoxyphosphorylethylsulfanyl)-2-methylpropane.

Molecular Properties

Compound Name2-(2-diethoxyphosphorylethylsulfanyl)-2-methylpropane
PubChem CID71385662
Molecular FormulaC10H23O3PS
Molecular Weight254.33 g/mol
Exact Mass254.11
IUPAC Name2-(2-diethoxyphosphorylethylsulfanyl)-2-methylpropane
SMILESCCOP(=O)(CCSC(C)(C)C)OCC
InChIInChI=1S/C10H23O3PS/c1-6-12-14(11,13-7-2)8-9-15-10(3,4)5/h6-9H2,1-5H3
InChIKeyNHJAGKPHBOTNFW-UHFFFAOYSA-N
XLogP3.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.78
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

2-deuterio-1-diethoxyphosphorylbutane
CID 102385353
1-(2-diethoxyphosphorylethoxy)-2,2-dimethylpropane
CID 21027105
2-diethoxyphosphorylethanamine;hydrochloride
CID 21435836
tert-butylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane
CID 23447087
1-diethoxyphosphoryldecane
CID 2773697
1,5-bis(diethoxyphosphoryl)pentan-3-one
CID 12030147
1-diethoxyphosphorylundecane
CID 57360026
1-[ethoxy(methoxy)phosphoryl]butane
CID 86081258
8-diethoxyphosphoryloctan-1-ol
CID 10515886
2-diethoxyphosphorylethanesulfonic acid
CID 14904485
1,2-Bis(tert-butylthio)ethane Borane
CID 23106025
3-diethoxyphosphoryl-1,1-dimethoxypropane;hydrate
CID 18686709

Frequently Asked Questions

What is the IUPAC name of 2-(2-diethoxyphosphorylethylsulfanyl)-2-methylpropane?
The IUPAC name of 2-(2-diethoxyphosphorylethylsulfanyl)-2-methylpropane (CID 71385662) is 2-(2-diethoxyphosphorylethylsulfanyl)-2-methylpropane.
What is the SMILES notation for 2-(2-diethoxyphosphorylethylsulfanyl)-2-methylpropane?
The canonical SMILES for 2-(2-diethoxyphosphorylethylsulfanyl)-2-methylpropane is CCOP(=O)(CCSC(C)(C)C)OCC.
What is the InChIKey of 2-(2-diethoxyphosphorylethylsulfanyl)-2-methylpropane?
The InChIKey is NHJAGKPHBOTNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23O3PS/c1-6-12-14(11,13-7-2)8-9-15-10(3,4)5/h6-9H2,1-5H3.
What are the key properties of 2-(2-diethoxyphosphorylethylsulfanyl)-2-methylpropane?
2-(2-diethoxyphosphorylethylsulfanyl)-2-methylpropane has a molecular weight of 254.33 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-diethoxyphosphorylethylsulfanyl)-2-methylpropane is sourced from PubChem (CID 71385662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).