[2-(diphenylphosphanylmethyl)-3,4-dimethyloxolan-2-yl]methyl-diphenylphosphane

C32H34OP2 — CID 88785194

IUPAC[2-(diphenylphosphanylmethyl)-3,4-dimethyloxolan-2-yl]methyl-diphenylphosphane
SMILESCC1COC(CP(c2ccccc2)c2ccccc2)(CP(c2ccccc2)c2ccccc2)C1C
InChIInChI=1S/C32H34OP2/c1-26-23-33-32(27(26)2,24-34(28-15-7-3-8-16-28)29-17-9-4-10-18-29)25-35(30-19-11-5-12-20-30)31-21-13-6-14-22-31/h3-22,26-27H,23-25H2,1-2H3
InChIKeyFPVWJQKHVPRXLB-UHFFFAOYSA-N
MW496.57 g/mol
LogP6.29
Rot. Bonds8

About [2-(diphenylphosphanylmethyl)-3,4-dimethyloxolan-2-yl]methyl-diphenylphosphane

[2-(diphenylphosphanylmethyl)-3,4-dimethyloxolan-2-yl]methyl-diphenylphosphane (PubChem CID 88785194) has the molecular formula C32H34OP2 and a molecular weight of 496.57 g/mol. Its IUPAC name is [2-(diphenylphosphanylmethyl)-3,4-dimethyloxolan-2-yl]methyl-diphenylphosphane.

Molecular Properties

Compound Name[2-(diphenylphosphanylmethyl)-3,4-dimethyloxolan-2-yl]methyl-diphenylphosphane
PubChem CID88785194
Molecular FormulaC32H34OP2
Molecular Weight496.57 g/mol
Exact Mass496.21
IUPAC Name[2-(diphenylphosphanylmethyl)-3,4-dimethyloxolan-2-yl]methyl-diphenylphosphane
SMILESCC1COC(CP(c2ccccc2)c2ccccc2)(CP(c2ccccc2)c2ccccc2)C1C
InChIInChI=1S/C32H34OP2/c1-26-23-33-32(27(26)2,24-34(28-15-7-3-8-16-28)29-17-9-4-10-18-29)25-35(30-19-11-5-12-20-30)31-21-13-6-14-22-31/h3-22,26-27H,23-25H2,1-2H3
InChIKeyFPVWJQKHVPRXLB-UHFFFAOYSA-N
XLogP6.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.57
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(diphenylphosphanylmethyl)-3,4-dimethyloxolan-2-yl]methyl-diphenylphosphane?
The IUPAC name of [2-(diphenylphosphanylmethyl)-3,4-dimethyloxolan-2-yl]methyl-diphenylphosphane (CID 88785194) is [2-(diphenylphosphanylmethyl)-3,4-dimethyloxolan-2-yl]methyl-diphenylphosphane.
What is the SMILES notation for [2-(diphenylphosphanylmethyl)-3,4-dimethyloxolan-2-yl]methyl-diphenylphosphane?
The canonical SMILES for [2-(diphenylphosphanylmethyl)-3,4-dimethyloxolan-2-yl]methyl-diphenylphosphane is CC1COC(CP(c2ccccc2)c2ccccc2)(CP(c2ccccc2)c2ccccc2)C1C.
What is the InChIKey of [2-(diphenylphosphanylmethyl)-3,4-dimethyloxolan-2-yl]methyl-diphenylphosphane?
The InChIKey is FPVWJQKHVPRXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34OP2/c1-26-23-33-32(27(26)2,24-34(28-15-7-3-8-16-28)29-17-9-4-10-18-29)25-35(30-19-11-5-12-20-30)31-21-13-6-14-22-31/h3-22,26-27H,23-25H2,1-2H3.
What are the key properties of [2-(diphenylphosphanylmethyl)-3,4-dimethyloxolan-2-yl]methyl-diphenylphosphane?
[2-(diphenylphosphanylmethyl)-3,4-dimethyloxolan-2-yl]methyl-diphenylphosphane has a molecular weight of 496.57 g/mol, XLogP of 6.29, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diphenylphosphanylmethyl)-3,4-dimethyloxolan-2-yl]methyl-diphenylphosphane is sourced from PubChem (CID 88785194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).