[5-(diphenylphosphanyloxymethyl)thiolan-2-yl]methoxy-diphenylphosphane

C30H30O2P2S — CID 15436137

IUPAC[5-(diphenylphosphanyloxymethyl)thiolan-2-yl]methoxy-diphenylphosphane
SMILESc1ccc(P(OCC2CCC(COP(c3ccccc3)c3ccccc3)S2)c2ccccc2)cc1
InChIInChI=1S/C30H30O2P2S/c1-5-13-25(14-6-1)33(26-15-7-2-8-16-26)31-23-29-21-22-30(35-29)24-32-34(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,29-30H,21-24H2
InChIKeyPBLYHAAHYMFBIW-UHFFFAOYSA-N
MW516.58 g/mol
LogP6.38
Rot. Bonds10

About [5-(diphenylphosphanyloxymethyl)thiolan-2-yl]methoxy-diphenylphosphane

[5-(diphenylphosphanyloxymethyl)thiolan-2-yl]methoxy-diphenylphosphane (PubChem CID 15436137) has the molecular formula C30H30O2P2S and a molecular weight of 516.58 g/mol. Its IUPAC name is [5-(diphenylphosphanyloxymethyl)thiolan-2-yl]methoxy-diphenylphosphane.

Molecular Properties

Compound Name[5-(diphenylphosphanyloxymethyl)thiolan-2-yl]methoxy-diphenylphosphane
PubChem CID15436137
Molecular FormulaC30H30O2P2S
Molecular Weight516.58 g/mol
Exact Mass516.14
IUPAC Name[5-(diphenylphosphanyloxymethyl)thiolan-2-yl]methoxy-diphenylphosphane
SMILESc1ccc(P(OCC2CCC(COP(c3ccccc3)c3ccccc3)S2)c2ccccc2)cc1
InChIInChI=1S/C30H30O2P2S/c1-5-13-25(14-6-1)33(26-15-7-2-8-16-26)31-23-29-21-22-30(35-29)24-32-34(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,29-30H,21-24H2
InChIKeyPBLYHAAHYMFBIW-UHFFFAOYSA-N
XLogP6.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.58
LogP ≤ 56.38
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 [5-(diphenylphosphanyloxymethyl)thiolan-2-yl]methoxy-diphenylphosphane?
The IUPAC name of [5-(diphenylphosphanyloxymethyl)thiolan-2-yl]methoxy-diphenylphosphane (CID 15436137) is [5-(diphenylphosphanyloxymethyl)thiolan-2-yl]methoxy-diphenylphosphane.
What is the SMILES notation for [5-(diphenylphosphanyloxymethyl)thiolan-2-yl]methoxy-diphenylphosphane?
The canonical SMILES for [5-(diphenylphosphanyloxymethyl)thiolan-2-yl]methoxy-diphenylphosphane is c1ccc(P(OCC2CCC(COP(c3ccccc3)c3ccccc3)S2)c2ccccc2)cc1.
What is the InChIKey of [5-(diphenylphosphanyloxymethyl)thiolan-2-yl]methoxy-diphenylphosphane?
The InChIKey is PBLYHAAHYMFBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O2P2S/c1-5-13-25(14-6-1)33(26-15-7-2-8-16-26)31-23-29-21-22-30(35-29)24-32-34(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,29-30H,21-24H2.
What are the key properties of [5-(diphenylphosphanyloxymethyl)thiolan-2-yl]methoxy-diphenylphosphane?
[5-(diphenylphosphanyloxymethyl)thiolan-2-yl]methoxy-diphenylphosphane has a molecular weight of 516.58 g/mol, XLogP of 6.38, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(diphenylphosphanyloxymethyl)thiolan-2-yl]methoxy-diphenylphosphane is sourced from PubChem (CID 15436137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).