2-(diethoxyphosphorylmethylsulfonyl)propane

C8H19O5PS — CID 58206153

IUPAC2-(diethoxyphosphorylmethylsulfonyl)propane
SMILESCCOP(=O)(CS(=O)(=O)C(C)C)OCC
InChIInChI=1S/C8H19O5PS/c1-5-12-14(9,13-6-2)7-15(10,11)8(3)4/h8H,5-7H2,1-4H3
InChIKeyQWXQHOJPVZJDRU-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.03
Rot. Bonds7

About 2-(diethoxyphosphorylmethylsulfonyl)propane

2-(diethoxyphosphorylmethylsulfonyl)propane (PubChem CID 58206153) has the molecular formula C8H19O5PS and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-(diethoxyphosphorylmethylsulfonyl)propane.

Molecular Properties

Compound Name2-(diethoxyphosphorylmethylsulfonyl)propane
PubChem CID58206153
Molecular FormulaC8H19O5PS
Molecular Weight258.28 g/mol
Exact Mass258.07
IUPAC Name2-(diethoxyphosphorylmethylsulfonyl)propane
SMILESCCOP(=O)(CS(=O)(=O)C(C)C)OCC
InChIInChI=1S/C8H19O5PS/c1-5-12-14(9,13-6-2)7-15(10,11)8(3)4/h8H,5-7H2,1-4H3
InChIKeyQWXQHOJPVZJDRU-UHFFFAOYSA-N
XLogP2.03
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(diethoxyphosphorylmethylsulfonyl)propane?
The IUPAC name of 2-(diethoxyphosphorylmethylsulfonyl)propane (CID 58206153) is 2-(diethoxyphosphorylmethylsulfonyl)propane.
What is the SMILES notation for 2-(diethoxyphosphorylmethylsulfonyl)propane?
The canonical SMILES for 2-(diethoxyphosphorylmethylsulfonyl)propane is CCOP(=O)(CS(=O)(=O)C(C)C)OCC.
What is the InChIKey of 2-(diethoxyphosphorylmethylsulfonyl)propane?
The InChIKey is QWXQHOJPVZJDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O5PS/c1-5-12-14(9,13-6-2)7-15(10,11)8(3)4/h8H,5-7H2,1-4H3.
What are the key properties of 2-(diethoxyphosphorylmethylsulfonyl)propane?
2-(diethoxyphosphorylmethylsulfonyl)propane has a molecular weight of 258.28 g/mol, XLogP of 2.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethoxyphosphorylmethylsulfonyl)propane is sourced from PubChem (CID 58206153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).