dimethyl 1-[bis(trimethylsilyl)methyl]phosphirene-2,3-dicarboxylate

C13H25O4PSi2 — CID 10963345

IUPACdimethyl 1-[bis(trimethylsilyl)methyl]phosphirene-2,3-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)P1C([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C13H25O4PSi2/c1-16-11(14)9-10(12(15)17-2)18(9)13(19(3,4)5)20(6,7)8/h13H,1-8H3
InChIKeyNGIITZZZICVKBC-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.16
Rot. Bonds5

About dimethyl 1-[bis(trimethylsilyl)methyl]phosphirene-2,3-dicarboxylate

dimethyl 1-[bis(trimethylsilyl)methyl]phosphirene-2,3-dicarboxylate (PubChem CID 10963345) has the molecular formula C13H25O4PSi2 and a molecular weight of 332.49 g/mol. Its IUPAC name is dimethyl 1-[bis(trimethylsilyl)methyl]phosphirene-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-[bis(trimethylsilyl)methyl]phosphirene-2,3-dicarboxylate
PubChem CID10963345
Molecular FormulaC13H25O4PSi2
Molecular Weight332.49 g/mol
Exact Mass332.10
IUPAC Namedimethyl 1-[bis(trimethylsilyl)methyl]phosphirene-2,3-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)P1C([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C13H25O4PSi2/c1-16-11(14)9-10(12(15)17-2)18(9)13(19(3,4)5)20(6,7)8/h13H,1-8H3
InChIKeyNGIITZZZICVKBC-UHFFFAOYSA-N
XLogP3.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 dimethyl 1-[bis(trimethylsilyl)methyl]phosphirene-2,3-dicarboxylate?
The IUPAC name of dimethyl 1-[bis(trimethylsilyl)methyl]phosphirene-2,3-dicarboxylate (CID 10963345) is dimethyl 1-[bis(trimethylsilyl)methyl]phosphirene-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 1-[bis(trimethylsilyl)methyl]phosphirene-2,3-dicarboxylate?
The canonical SMILES for dimethyl 1-[bis(trimethylsilyl)methyl]phosphirene-2,3-dicarboxylate is COC(=O)C1=C(C(=O)OC)P1C([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of dimethyl 1-[bis(trimethylsilyl)methyl]phosphirene-2,3-dicarboxylate?
The InChIKey is NGIITZZZICVKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25O4PSi2/c1-16-11(14)9-10(12(15)17-2)18(9)13(19(3,4)5)20(6,7)8/h13H,1-8H3.
What are the key properties of dimethyl 1-[bis(trimethylsilyl)methyl]phosphirene-2,3-dicarboxylate?
dimethyl 1-[bis(trimethylsilyl)methyl]phosphirene-2,3-dicarboxylate has a molecular weight of 332.49 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-[bis(trimethylsilyl)methyl]phosphirene-2,3-dicarboxylate is sourced from PubChem (CID 10963345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).