4,5-dimethyl-1,3,2,4,5-dioxaphosphadisilolan-2-ium 2-oxide

C2H8O3PSi2+ — CID 173143646

IUPAC4,5-dimethyl-1,3,2,4,5-dioxaphosphadisilolan-2-ium 2-oxide
SMILESC[SiH]1O[P+](=O)O[SiH]1C
InChIInChI=1S/C2H8O3PSi2/c1-7-4-6(3)5-8(7)2/h7-8H,1-2H3/q+1
InChIKeyDMTRKNORSKLGMM-UHFFFAOYSA-N
MW167.23 g/mol
LogP0.48
Rot. Bonds

About 4,5-dimethyl-1,3,2,4,5-dioxaphosphadisilolan-2-ium 2-oxide

4,5-dimethyl-1,3,2,4,5-dioxaphosphadisilolan-2-ium 2-oxide (PubChem CID 173143646) has the molecular formula C2H8O3PSi2+ and a molecular weight of 167.23 g/mol. Its IUPAC name is 4,5-dimethyl-1,3,2,4,5-dioxaphosphadisilolan-2-ium 2-oxide.

Molecular Properties

Compound Name4,5-dimethyl-1,3,2,4,5-dioxaphosphadisilolan-2-ium 2-oxide
PubChem CID173143646
Molecular FormulaC2H8O3PSi2+
Molecular Weight167.23 g/mol
Exact Mass166.97
IUPAC Name4,5-dimethyl-1,3,2,4,5-dioxaphosphadisilolan-2-ium 2-oxide
SMILESC[SiH]1O[P+](=O)O[SiH]1C
InChIInChI=1S/C2H8O3PSi2/c1-7-4-6(3)5-8(7)2/h7-8H,1-2H3/q+1
InChIKeyDMTRKNORSKLGMM-UHFFFAOYSA-N
XLogP0.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 50.48
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 4,5-dimethyl-1,3,2,4,5-dioxaphosphadisilolan-2-ium 2-oxide?
The IUPAC name of 4,5-dimethyl-1,3,2,4,5-dioxaphosphadisilolan-2-ium 2-oxide (CID 173143646) is 4,5-dimethyl-1,3,2,4,5-dioxaphosphadisilolan-2-ium 2-oxide.
What is the SMILES notation for 4,5-dimethyl-1,3,2,4,5-dioxaphosphadisilolan-2-ium 2-oxide?
The canonical SMILES for 4,5-dimethyl-1,3,2,4,5-dioxaphosphadisilolan-2-ium 2-oxide is C[SiH]1O[P+](=O)O[SiH]1C.
What is the InChIKey of 4,5-dimethyl-1,3,2,4,5-dioxaphosphadisilolan-2-ium 2-oxide?
The InChIKey is DMTRKNORSKLGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8O3PSi2/c1-7-4-6(3)5-8(7)2/h7-8H,1-2H3/q+1.
What are the key properties of 4,5-dimethyl-1,3,2,4,5-dioxaphosphadisilolan-2-ium 2-oxide?
4,5-dimethyl-1,3,2,4,5-dioxaphosphadisilolan-2-ium 2-oxide has a molecular weight of 167.23 g/mol, XLogP of 0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1,3,2,4,5-dioxaphosphadisilolan-2-ium 2-oxide is sourced from PubChem (CID 173143646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).