2-[propan-2-yloxy(propan-2-ylsulfonylmethyl)phosphoryl]oxypropane

C10H23O5PS — CID 58573230

IUPAC2-[propan-2-yloxy(propan-2-ylsulfonylmethyl)phosphoryl]oxypropane
SMILESCC(C)OP(=O)(CS(=O)(=O)C(C)C)OC(C)C
InChIInChI=1S/C10H23O5PS/c1-8(2)14-16(11,15-9(3)4)7-17(12,13)10(5)6/h8-10H,7H2,1-6H3
InChIKeyPRISTGOAUGPHNR-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.81
Rot. Bonds7

About 2-[propan-2-yloxy(propan-2-ylsulfonylmethyl)phosphoryl]oxypropane

2-[propan-2-yloxy(propan-2-ylsulfonylmethyl)phosphoryl]oxypropane (PubChem CID 58573230) has the molecular formula C10H23O5PS and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[propan-2-yloxy(propan-2-ylsulfonylmethyl)phosphoryl]oxypropane.

Molecular Properties

Compound Name2-[propan-2-yloxy(propan-2-ylsulfonylmethyl)phosphoryl]oxypropane
PubChem CID58573230
Molecular FormulaC10H23O5PS
Molecular Weight286.33 g/mol
Exact Mass286.10
IUPAC Name2-[propan-2-yloxy(propan-2-ylsulfonylmethyl)phosphoryl]oxypropane
SMILESCC(C)OP(=O)(CS(=O)(=O)C(C)C)OC(C)C
InChIInChI=1S/C10H23O5PS/c1-8(2)14-16(11,15-9(3)4)7-17(12,13)10(5)6/h8-10H,7H2,1-6H3
InChIKeyPRISTGOAUGPHNR-UHFFFAOYSA-N
XLogP2.81
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.81
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-[propan-2-yloxy(propan-2-ylsulfonylmethyl)phosphoryl]oxypropane?
The IUPAC name of 2-[propan-2-yloxy(propan-2-ylsulfonylmethyl)phosphoryl]oxypropane (CID 58573230) is 2-[propan-2-yloxy(propan-2-ylsulfonylmethyl)phosphoryl]oxypropane.
What is the SMILES notation for 2-[propan-2-yloxy(propan-2-ylsulfonylmethyl)phosphoryl]oxypropane?
The canonical SMILES for 2-[propan-2-yloxy(propan-2-ylsulfonylmethyl)phosphoryl]oxypropane is CC(C)OP(=O)(CS(=O)(=O)C(C)C)OC(C)C.
What is the InChIKey of 2-[propan-2-yloxy(propan-2-ylsulfonylmethyl)phosphoryl]oxypropane?
The InChIKey is PRISTGOAUGPHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23O5PS/c1-8(2)14-16(11,15-9(3)4)7-17(12,13)10(5)6/h8-10H,7H2,1-6H3.
What are the key properties of 2-[propan-2-yloxy(propan-2-ylsulfonylmethyl)phosphoryl]oxypropane?
2-[propan-2-yloxy(propan-2-ylsulfonylmethyl)phosphoryl]oxypropane has a molecular weight of 286.33 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yloxy(propan-2-ylsulfonylmethyl)phosphoryl]oxypropane is sourced from PubChem (CID 58573230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).