[3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane

C34H38O4P2 — CID 18519085

IUPAC[3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane
SMILESCOC1(C)OC(CP(c2ccccc2)c2ccccc2)C(CP(c2ccccc2)c2ccccc2)OC1(C)OC
InChIInChI=1S/C34H38O4P2/c1-33(35-3)34(2,36-4)38-32(26-40(29-21-13-7-14-22-29)30-23-15-8-16-24-30)31(37-33)25-39(27-17-9-5-10-18-27)28-19-11-6-12-20-28/h5-24,31-32H,25-26H2,1-4H3
InChIKeyRSCYVRLLTJPYTP-UHFFFAOYSA-N
MW572.62 g/mol
LogP5.76
Rot. Bonds10

About [3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane

[3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane (PubChem CID 18519085) has the molecular formula C34H38O4P2 and a molecular weight of 572.62 g/mol. Its IUPAC name is [3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane.

Molecular Properties

Compound Name[3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane
PubChem CID18519085
Molecular FormulaC34H38O4P2
Molecular Weight572.62 g/mol
Exact Mass572.22
IUPAC Name[3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane
SMILESCOC1(C)OC(CP(c2ccccc2)c2ccccc2)C(CP(c2ccccc2)c2ccccc2)OC1(C)OC
InChIInChI=1S/C34H38O4P2/c1-33(35-3)34(2,36-4)38-32(26-40(29-21-13-7-14-22-29)30-23-15-8-16-24-30)31(37-33)25-39(27-17-9-5-10-18-27)28-19-11-6-12-20-28/h5-24,31-32H,25-26H2,1-4H3
InChIKeyRSCYVRLLTJPYTP-UHFFFAOYSA-N
XLogP5.76
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.62
LogP ≤ 55.76
H-Bond Donors ≤ 50
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 [3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane?
The IUPAC name of [3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane (CID 18519085) is [3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane.
What is the SMILES notation for [3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane?
The canonical SMILES for [3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane is COC1(C)OC(CP(c2ccccc2)c2ccccc2)C(CP(c2ccccc2)c2ccccc2)OC1(C)OC.
What is the InChIKey of [3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane?
The InChIKey is RSCYVRLLTJPYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38O4P2/c1-33(35-3)34(2,36-4)38-32(26-40(29-21-13-7-14-22-29)30-23-15-8-16-24-30)31(37-33)25-39(27-17-9-5-10-18-27)28-19-11-6-12-20-28/h5-24,31-32H,25-26H2,1-4H3.
What are the key properties of [3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane?
[3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane has a molecular weight of 572.62 g/mol, XLogP of 5.76, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane is sourced from PubChem (CID 18519085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).