bis[3-(dimethoxymethylsilyl)propyl] oxirane-2,3-dicarboxylate

C16H32O9Si2 — CID 71331307

IUPACbis[3-(dimethoxymethylsilyl)propyl] oxirane-2,3-dicarboxylate
SMILESCOC(OC)[SiH2]CCCOC(=O)C1OC1C(=O)OCCC[SiH2]C(OC)OC
InChIInChI=1S/C16H32O9Si2/c1-19-15(20-2)26-9-5-7-23-13(17)11-12(25-11)14(18)24-8-6-10-27-16(21-3)22-4/h11-12,15-16H,5-10,26-27H2,1-4H3
InChIKeyBHFJYZMCHQAVDI-UHFFFAOYSA-N
MW424.60 g/mol
LogP-1.05
Rot. Bonds16

About bis[3-(dimethoxymethylsilyl)propyl] oxirane-2,3-dicarboxylate

bis[3-(dimethoxymethylsilyl)propyl] oxirane-2,3-dicarboxylate (PubChem CID 71331307) has the molecular formula C16H32O9Si2 and a molecular weight of 424.60 g/mol. Its IUPAC name is bis[3-(dimethoxymethylsilyl)propyl] oxirane-2,3-dicarboxylate.

Molecular Properties

Compound Namebis[3-(dimethoxymethylsilyl)propyl] oxirane-2,3-dicarboxylate
PubChem CID71331307
Molecular FormulaC16H32O9Si2
Molecular Weight424.60 g/mol
Exact Mass424.16
IUPAC Namebis[3-(dimethoxymethylsilyl)propyl] oxirane-2,3-dicarboxylate
SMILESCOC(OC)[SiH2]CCCOC(=O)C1OC1C(=O)OCCC[SiH2]C(OC)OC
InChIInChI=1S/C16H32O9Si2/c1-19-15(20-2)26-9-5-7-23-13(17)11-12(25-11)14(18)24-8-6-10-27-16(21-3)22-4/h11-12,15-16H,5-10,26-27H2,1-4H3
InChIKeyBHFJYZMCHQAVDI-UHFFFAOYSA-N
XLogP-1.05
TPSA102.05 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.60
LogP ≤ 5-1.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis[3-(dimethoxymethylsilyl)propyl] oxirane-2,3-dicarboxylate?
The IUPAC name of bis[3-(dimethoxymethylsilyl)propyl] oxirane-2,3-dicarboxylate (CID 71331307) is bis[3-(dimethoxymethylsilyl)propyl] oxirane-2,3-dicarboxylate.
What is the SMILES notation for bis[3-(dimethoxymethylsilyl)propyl] oxirane-2,3-dicarboxylate?
The canonical SMILES for bis[3-(dimethoxymethylsilyl)propyl] oxirane-2,3-dicarboxylate is COC(OC)[SiH2]CCCOC(=O)C1OC1C(=O)OCCC[SiH2]C(OC)OC.
What is the InChIKey of bis[3-(dimethoxymethylsilyl)propyl] oxirane-2,3-dicarboxylate?
The InChIKey is BHFJYZMCHQAVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O9Si2/c1-19-15(20-2)26-9-5-7-23-13(17)11-12(25-11)14(18)24-8-6-10-27-16(21-3)22-4/h11-12,15-16H,5-10,26-27H2,1-4H3.
What are the key properties of bis[3-(dimethoxymethylsilyl)propyl] oxirane-2,3-dicarboxylate?
bis[3-(dimethoxymethylsilyl)propyl] oxirane-2,3-dicarboxylate has a molecular weight of 424.60 g/mol, XLogP of -1.05, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-(dimethoxymethylsilyl)propyl] oxirane-2,3-dicarboxylate is sourced from PubChem (CID 71331307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).