4,4-dimethyl-2,6-diphenyl-1,2λ5,6λ5-oxadiphosphinane 2,6-dioxide

C17H20O3P2 — CID 71329899

IUPAC4,4-dimethyl-2,6-diphenyl-1,2λ5,6λ5-oxadiphosphinane 2,6-dioxide
SMILESCC1(C)CP(=O)(c2ccccc2)OP(=O)(c2ccccc2)C1
InChIInChI=1S/C17H20O3P2/c1-17(2)13-21(18,15-9-5-3-6-10-15)20-22(19,14-17)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKeyGRHMWCCQUZNHEZ-UHFFFAOYSA-N
MW334.29 g/mol
LogP4.25
Rot. Bonds2

About 4,4-dimethyl-2,6-diphenyl-1,2λ5,6λ5-oxadiphosphinane 2,6-dioxide

4,4-dimethyl-2,6-diphenyl-1,2λ5,6λ5-oxadiphosphinane 2,6-dioxide (PubChem CID 71329899) has the molecular formula C17H20O3P2 and a molecular weight of 334.29 g/mol. Its IUPAC name is 4,4-dimethyl-2,6-diphenyl-1,2λ5,6λ5-oxadiphosphinane 2,6-dioxide.

Molecular Properties

Compound Name4,4-dimethyl-2,6-diphenyl-1,2λ5,6λ5-oxadiphosphinane 2,6-dioxide
PubChem CID71329899
Molecular FormulaC17H20O3P2
Molecular Weight334.29 g/mol
Exact Mass334.09
IUPAC Name4,4-dimethyl-2,6-diphenyl-1,2λ5,6λ5-oxadiphosphinane 2,6-dioxide
SMILESCC1(C)CP(=O)(c2ccccc2)OP(=O)(c2ccccc2)C1
InChIInChI=1S/C17H20O3P2/c1-17(2)13-21(18,15-9-5-3-6-10-15)20-22(19,14-17)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKeyGRHMWCCQUZNHEZ-UHFFFAOYSA-N
XLogP4.25
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 54.25
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 4,4-dimethyl-2,6-diphenyl-1,2λ5,6λ5-oxadiphosphinane 2,6-dioxide?
The IUPAC name of 4,4-dimethyl-2,6-diphenyl-1,2λ5,6λ5-oxadiphosphinane 2,6-dioxide (CID 71329899) is 4,4-dimethyl-2,6-diphenyl-1,2λ5,6λ5-oxadiphosphinane 2,6-dioxide.
What is the SMILES notation for 4,4-dimethyl-2,6-diphenyl-1,2λ5,6λ5-oxadiphosphinane 2,6-dioxide?
The canonical SMILES for 4,4-dimethyl-2,6-diphenyl-1,2λ5,6λ5-oxadiphosphinane 2,6-dioxide is CC1(C)CP(=O)(c2ccccc2)OP(=O)(c2ccccc2)C1.
What is the InChIKey of 4,4-dimethyl-2,6-diphenyl-1,2λ5,6λ5-oxadiphosphinane 2,6-dioxide?
The InChIKey is GRHMWCCQUZNHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3P2/c1-17(2)13-21(18,15-9-5-3-6-10-15)20-22(19,14-17)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3.
What are the key properties of 4,4-dimethyl-2,6-diphenyl-1,2λ5,6λ5-oxadiphosphinane 2,6-dioxide?
4,4-dimethyl-2,6-diphenyl-1,2λ5,6λ5-oxadiphosphinane 2,6-dioxide has a molecular weight of 334.29 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2,6-diphenyl-1,2λ5,6λ5-oxadiphosphinane 2,6-dioxide is sourced from PubChem (CID 71329899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).