[3-(diphenylphosphanylmethyl)-4,5-dimethyldioxolan-3-yl]methyl-diphenylphosphane

C31H32O2P2 — CID 88785193

IUPAC[3-(diphenylphosphanylmethyl)-4,5-dimethyldioxolan-3-yl]methyl-diphenylphosphane
SMILESCC1OOC(CP(c2ccccc2)c2ccccc2)(CP(c2ccccc2)c2ccccc2)C1C
InChIInChI=1S/C31H32O2P2/c1-25-26(2)32-33-31(25,23-34(27-15-7-3-8-16-27)28-17-9-4-10-18-28)24-35(29-19-11-5-12-20-29)30-21-13-6-14-22-30/h3-22,25-26H,23-24H2,1-2H3
InChIKeyYJORDZZXKOWZAZ-UHFFFAOYSA-N
MW498.54 g/mol
LogP5.98
Rot. Bonds8

About [3-(diphenylphosphanylmethyl)-4,5-dimethyldioxolan-3-yl]methyl-diphenylphosphane

[3-(diphenylphosphanylmethyl)-4,5-dimethyldioxolan-3-yl]methyl-diphenylphosphane (PubChem CID 88785193) has the molecular formula C31H32O2P2 and a molecular weight of 498.54 g/mol. Its IUPAC name is [3-(diphenylphosphanylmethyl)-4,5-dimethyldioxolan-3-yl]methyl-diphenylphosphane.

Molecular Properties

Compound Name[3-(diphenylphosphanylmethyl)-4,5-dimethyldioxolan-3-yl]methyl-diphenylphosphane
PubChem CID88785193
Molecular FormulaC31H32O2P2
Molecular Weight498.54 g/mol
Exact Mass498.19
IUPAC Name[3-(diphenylphosphanylmethyl)-4,5-dimethyldioxolan-3-yl]methyl-diphenylphosphane
SMILESCC1OOC(CP(c2ccccc2)c2ccccc2)(CP(c2ccccc2)c2ccccc2)C1C
InChIInChI=1S/C31H32O2P2/c1-25-26(2)32-33-31(25,23-34(27-15-7-3-8-16-27)28-17-9-4-10-18-28)24-35(29-19-11-5-12-20-29)30-21-13-6-14-22-30/h3-22,25-26H,23-24H2,1-2H3
InChIKeyYJORDZZXKOWZAZ-UHFFFAOYSA-N
XLogP5.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.54
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(diphenylphosphanylmethyl)-4,5-dimethyldioxolan-3-yl]methyl-diphenylphosphane?
The IUPAC name of [3-(diphenylphosphanylmethyl)-4,5-dimethyldioxolan-3-yl]methyl-diphenylphosphane (CID 88785193) is [3-(diphenylphosphanylmethyl)-4,5-dimethyldioxolan-3-yl]methyl-diphenylphosphane.
What is the SMILES notation for [3-(diphenylphosphanylmethyl)-4,5-dimethyldioxolan-3-yl]methyl-diphenylphosphane?
The canonical SMILES for [3-(diphenylphosphanylmethyl)-4,5-dimethyldioxolan-3-yl]methyl-diphenylphosphane is CC1OOC(CP(c2ccccc2)c2ccccc2)(CP(c2ccccc2)c2ccccc2)C1C.
What is the InChIKey of [3-(diphenylphosphanylmethyl)-4,5-dimethyldioxolan-3-yl]methyl-diphenylphosphane?
The InChIKey is YJORDZZXKOWZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32O2P2/c1-25-26(2)32-33-31(25,23-34(27-15-7-3-8-16-27)28-17-9-4-10-18-28)24-35(29-19-11-5-12-20-29)30-21-13-6-14-22-30/h3-22,25-26H,23-24H2,1-2H3.
What are the key properties of [3-(diphenylphosphanylmethyl)-4,5-dimethyldioxolan-3-yl]methyl-diphenylphosphane?
[3-(diphenylphosphanylmethyl)-4,5-dimethyldioxolan-3-yl]methyl-diphenylphosphane has a molecular weight of 498.54 g/mol, XLogP of 5.98, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(diphenylphosphanylmethyl)-4,5-dimethyldioxolan-3-yl]methyl-diphenylphosphane is sourced from PubChem (CID 88785193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).