methyl-[[5-[[methyl(phenyl)phosphanyl]oxymethyl]thiolan-2-yl]methoxy]-phenylphosphane

C20H26O2P2S — CID 163996386

IUPACmethyl-[[5-[[methyl(phenyl)phosphanyl]oxymethyl]thiolan-2-yl]methoxy]-phenylphosphane
SMILESCP(OCC1CCC(COP(C)c2ccccc2)S1)c1ccccc1
InChIInChI=1S/C20H26O2P2S/c1-23(17-9-5-3-6-10-17)21-15-19-13-14-20(25-19)16-22-24(2)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3
InChIKeyUFBCHYDPHVHDBE-UHFFFAOYSA-N
MW392.44 g/mol
LogP4.99
Rot. Bonds8

About methyl-[[5-[[methyl(phenyl)phosphanyl]oxymethyl]thiolan-2-yl]methoxy]-phenylphosphane

methyl-[[5-[[methyl(phenyl)phosphanyl]oxymethyl]thiolan-2-yl]methoxy]-phenylphosphane (PubChem CID 163996386) has the molecular formula C20H26O2P2S and a molecular weight of 392.44 g/mol. Its IUPAC name is methyl-[[5-[[methyl(phenyl)phosphanyl]oxymethyl]thiolan-2-yl]methoxy]-phenylphosphane.

Molecular Properties

Compound Namemethyl-[[5-[[methyl(phenyl)phosphanyl]oxymethyl]thiolan-2-yl]methoxy]-phenylphosphane
PubChem CID163996386
Molecular FormulaC20H26O2P2S
Molecular Weight392.44 g/mol
Exact Mass392.11
IUPAC Namemethyl-[[5-[[methyl(phenyl)phosphanyl]oxymethyl]thiolan-2-yl]methoxy]-phenylphosphane
SMILESCP(OCC1CCC(COP(C)c2ccccc2)S1)c1ccccc1
InChIInChI=1S/C20H26O2P2S/c1-23(17-9-5-3-6-10-17)21-15-19-13-14-20(25-19)16-22-24(2)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3
InChIKeyUFBCHYDPHVHDBE-UHFFFAOYSA-N
XLogP4.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-[[5-[[methyl(phenyl)phosphanyl]oxymethyl]thiolan-2-yl]methoxy]-phenylphosphane?
The IUPAC name of methyl-[[5-[[methyl(phenyl)phosphanyl]oxymethyl]thiolan-2-yl]methoxy]-phenylphosphane (CID 163996386) is methyl-[[5-[[methyl(phenyl)phosphanyl]oxymethyl]thiolan-2-yl]methoxy]-phenylphosphane.
What is the SMILES notation for methyl-[[5-[[methyl(phenyl)phosphanyl]oxymethyl]thiolan-2-yl]methoxy]-phenylphosphane?
The canonical SMILES for methyl-[[5-[[methyl(phenyl)phosphanyl]oxymethyl]thiolan-2-yl]methoxy]-phenylphosphane is CP(OCC1CCC(COP(C)c2ccccc2)S1)c1ccccc1.
What is the InChIKey of methyl-[[5-[[methyl(phenyl)phosphanyl]oxymethyl]thiolan-2-yl]methoxy]-phenylphosphane?
The InChIKey is UFBCHYDPHVHDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2P2S/c1-23(17-9-5-3-6-10-17)21-15-19-13-14-20(25-19)16-22-24(2)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3.
What are the key properties of methyl-[[5-[[methyl(phenyl)phosphanyl]oxymethyl]thiolan-2-yl]methoxy]-phenylphosphane?
methyl-[[5-[[methyl(phenyl)phosphanyl]oxymethyl]thiolan-2-yl]methoxy]-phenylphosphane has a molecular weight of 392.44 g/mol, XLogP of 4.99, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[[5-[[methyl(phenyl)phosphanyl]oxymethyl]thiolan-2-yl]methoxy]-phenylphosphane is sourced from PubChem (CID 163996386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).