hydroxy-[(2-methylpropan-2-yl)oxy]-methylsulfanyl-propan-2-yloxyphosphanium

C8H20O3PS+ — CID 170083052

IUPAChydroxy-[(2-methylpropan-2-yl)oxy]-methylsulfanyl-propan-2-yloxyphosphanium
SMILESCS[P+](O)(OC(C)C)OC(C)(C)C
InChIInChI=1S/C8H20O3PS/c1-7(2)10-12(9,13-6)11-8(3,4)5/h7,9H,1-6H3/q+1
InChIKeyJWRSOGPDBOMKIG-UHFFFAOYSA-N
MW227.29 g/mol
LogP3.26
Rot. Bonds4

About hydroxy-[(2-methylpropan-2-yl)oxy]-methylsulfanyl-propan-2-yloxyphosphanium

hydroxy-[(2-methylpropan-2-yl)oxy]-methylsulfanyl-propan-2-yloxyphosphanium (PubChem CID 170083052) has the molecular formula C8H20O3PS+ and a molecular weight of 227.29 g/mol. Its IUPAC name is hydroxy-[(2-methylpropan-2-yl)oxy]-methylsulfanyl-propan-2-yloxyphosphanium.

Molecular Properties

Compound Namehydroxy-[(2-methylpropan-2-yl)oxy]-methylsulfanyl-propan-2-yloxyphosphanium
PubChem CID170083052
Molecular FormulaC8H20O3PS+
Molecular Weight227.29 g/mol
Exact Mass227.09
IUPAC Namehydroxy-[(2-methylpropan-2-yl)oxy]-methylsulfanyl-propan-2-yloxyphosphanium
SMILESCS[P+](O)(OC(C)C)OC(C)(C)C
InChIInChI=1S/C8H20O3PS/c1-7(2)10-12(9,13-6)11-8(3,4)5/h7,9H,1-6H3/q+1
InChIKeyJWRSOGPDBOMKIG-UHFFFAOYSA-N
XLogP3.26
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy-[(2-methylpropan-2-yl)oxy]-methylsulfanyl-propan-2-yloxyphosphanium?
The IUPAC name of hydroxy-[(2-methylpropan-2-yl)oxy]-methylsulfanyl-propan-2-yloxyphosphanium (CID 170083052) is hydroxy-[(2-methylpropan-2-yl)oxy]-methylsulfanyl-propan-2-yloxyphosphanium.
What is the SMILES notation for hydroxy-[(2-methylpropan-2-yl)oxy]-methylsulfanyl-propan-2-yloxyphosphanium?
The canonical SMILES for hydroxy-[(2-methylpropan-2-yl)oxy]-methylsulfanyl-propan-2-yloxyphosphanium is CS[P+](O)(OC(C)C)OC(C)(C)C.
What is the InChIKey of hydroxy-[(2-methylpropan-2-yl)oxy]-methylsulfanyl-propan-2-yloxyphosphanium?
The InChIKey is JWRSOGPDBOMKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20O3PS/c1-7(2)10-12(9,13-6)11-8(3,4)5/h7,9H,1-6H3/q+1.
What are the key properties of hydroxy-[(2-methylpropan-2-yl)oxy]-methylsulfanyl-propan-2-yloxyphosphanium?
hydroxy-[(2-methylpropan-2-yl)oxy]-methylsulfanyl-propan-2-yloxyphosphanium has a molecular weight of 227.29 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[(2-methylpropan-2-yl)oxy]-methylsulfanyl-propan-2-yloxyphosphanium is sourced from PubChem (CID 170083052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).