5,5-dimethyl-11-phenylbenzo[d][1,3,2,6]benzodioxaphosphasilocine 11-oxide

C20H19O3PSi — CID 14274429

IUPAC5,5-dimethyl-11-phenylbenzo[d][1,3,2,6]benzodioxaphosphasilocine 11-oxide
SMILESC[Si]1(C)c2ccccc2OP(=O)(c2ccccc2)Oc2ccccc21
InChIInChI=1S/C20H19O3PSi/c1-25(2)19-14-8-6-12-17(19)22-24(21,16-10-4-3-5-11-16)23-18-13-7-9-15-20(18)25/h3-15H,1-2H3
InChIKeyRYRKMMDRWRYFOH-UHFFFAOYSA-N
MW366.43 g/mol
LogP3.80
Rot. Bonds1

About 5,5-dimethyl-11-phenylbenzo[d][1,3,2,6]benzodioxaphosphasilocine 11-oxide

5,5-dimethyl-11-phenylbenzo[d][1,3,2,6]benzodioxaphosphasilocine 11-oxide (PubChem CID 14274429) has the molecular formula C20H19O3PSi and a molecular weight of 366.43 g/mol. Its IUPAC name is 5,5-dimethyl-11-phenylbenzo[d][1,3,2,6]benzodioxaphosphasilocine 11-oxide.

Molecular Properties

Compound Name5,5-dimethyl-11-phenylbenzo[d][1,3,2,6]benzodioxaphosphasilocine 11-oxide
PubChem CID14274429
Molecular FormulaC20H19O3PSi
Molecular Weight366.43 g/mol
Exact Mass366.08
IUPAC Name5,5-dimethyl-11-phenylbenzo[d][1,3,2,6]benzodioxaphosphasilocine 11-oxide
SMILESC[Si]1(C)c2ccccc2OP(=O)(c2ccccc2)Oc2ccccc21
InChIInChI=1S/C20H19O3PSi/c1-25(2)19-14-8-6-12-17(19)22-24(21,16-10-4-3-5-11-16)23-18-13-7-9-15-20(18)25/h3-15H,1-2H3
InChIKeyRYRKMMDRWRYFOH-UHFFFAOYSA-N
XLogP3.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-11-phenylbenzo[d][1,3,2,6]benzodioxaphosphasilocine 11-oxide?
The IUPAC name of 5,5-dimethyl-11-phenylbenzo[d][1,3,2,6]benzodioxaphosphasilocine 11-oxide (CID 14274429) is 5,5-dimethyl-11-phenylbenzo[d][1,3,2,6]benzodioxaphosphasilocine 11-oxide.
What is the SMILES notation for 5,5-dimethyl-11-phenylbenzo[d][1,3,2,6]benzodioxaphosphasilocine 11-oxide?
The canonical SMILES for 5,5-dimethyl-11-phenylbenzo[d][1,3,2,6]benzodioxaphosphasilocine 11-oxide is C[Si]1(C)c2ccccc2OP(=O)(c2ccccc2)Oc2ccccc21.
What is the InChIKey of 5,5-dimethyl-11-phenylbenzo[d][1,3,2,6]benzodioxaphosphasilocine 11-oxide?
The InChIKey is RYRKMMDRWRYFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19O3PSi/c1-25(2)19-14-8-6-12-17(19)22-24(21,16-10-4-3-5-11-16)23-18-13-7-9-15-20(18)25/h3-15H,1-2H3.
What are the key properties of 5,5-dimethyl-11-phenylbenzo[d][1,3,2,6]benzodioxaphosphasilocine 11-oxide?
5,5-dimethyl-11-phenylbenzo[d][1,3,2,6]benzodioxaphosphasilocine 11-oxide has a molecular weight of 366.43 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-11-phenylbenzo[d][1,3,2,6]benzodioxaphosphasilocine 11-oxide is sourced from PubChem (CID 14274429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).