bis[(3-ethyloxetan-3-yl)methyl] carbonate;dimethylsilyloxy-[3-[(3-ethyloxetan-3-yl)methoxy]propyl]-dimethylsilane

C26H52O8Si2 — CID 158300054

IUPACbis[(3-ethyloxetan-3-yl)methyl] carbonate;dimethylsilyloxy-[3-[(3-ethyloxetan-3-yl)methoxy]propyl]-dimethylsilane
SMILESCCC1(COC(=O)OCC2(CC)COC2)COC1.CCC1(COCCC[Si](C)(C)O[SiH](C)C)COC1
InChIInChI=1S/C13H22O5.C13H30O3Si2/c1-3-12(5-15-6-12)9-17-11(14)18-10-13(4-2)7-16-8-13;1-6-13(11-15-12-13)10-14-8-7-9-18(4,5)16-17(2)3/h3-10H2,1-2H3;17H,6-12H2,1-5H3
InChIKeyGMJUYBIPCGXQKO-UHFFFAOYSA-N
MW548.87 g/mol
LogP5.02
Rot. Bonds15

About bis[(3-ethyloxetan-3-yl)methyl] carbonate;dimethylsilyloxy-[3-[(3-ethyloxetan-3-yl)methoxy]propyl]-dimethylsilane

bis[(3-ethyloxetan-3-yl)methyl] carbonate;dimethylsilyloxy-[3-[(3-ethyloxetan-3-yl)methoxy]propyl]-dimethylsilane (PubChem CID 158300054) has the molecular formula C26H52O8Si2 and a molecular weight of 548.87 g/mol. Its IUPAC name is bis[(3-ethyloxetan-3-yl)methyl] carbonate;dimethylsilyloxy-[3-[(3-ethyloxetan-3-yl)methoxy]propyl]-dimethylsilane.

Molecular Properties

Compound Namebis[(3-ethyloxetan-3-yl)methyl] carbonate;dimethylsilyloxy-[3-[(3-ethyloxetan-3-yl)methoxy]propyl]-dimethylsilane
PubChem CID158300054
Molecular FormulaC26H52O8Si2
Molecular Weight548.87 g/mol
Exact Mass548.32
IUPAC Namebis[(3-ethyloxetan-3-yl)methyl] carbonate;dimethylsilyloxy-[3-[(3-ethyloxetan-3-yl)methoxy]propyl]-dimethylsilane
SMILESCCC1(COC(=O)OCC2(CC)COC2)COC1.CCC1(COCCC[Si](C)(C)O[SiH](C)C)COC1
InChIInChI=1S/C13H22O5.C13H30O3Si2/c1-3-12(5-15-6-12)9-17-11(14)18-10-13(4-2)7-16-8-13;1-6-13(11-15-12-13)10-14-8-7-9-18(4,5)16-17(2)3/h3-10H2,1-2H3;17H,6-12H2,1-5H3
InChIKeyGMJUYBIPCGXQKO-UHFFFAOYSA-N
XLogP5.02
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.87
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[(3-ethyloxetan-3-yl)methyl] carbonate;dimethylsilyloxy-[3-[(3-ethyloxetan-3-yl)methoxy]propyl]-dimethylsilane?
The IUPAC name of bis[(3-ethyloxetan-3-yl)methyl] carbonate;dimethylsilyloxy-[3-[(3-ethyloxetan-3-yl)methoxy]propyl]-dimethylsilane (CID 158300054) is bis[(3-ethyloxetan-3-yl)methyl] carbonate;dimethylsilyloxy-[3-[(3-ethyloxetan-3-yl)methoxy]propyl]-dimethylsilane.
What is the SMILES notation for bis[(3-ethyloxetan-3-yl)methyl] carbonate;dimethylsilyloxy-[3-[(3-ethyloxetan-3-yl)methoxy]propyl]-dimethylsilane?
The canonical SMILES for bis[(3-ethyloxetan-3-yl)methyl] carbonate;dimethylsilyloxy-[3-[(3-ethyloxetan-3-yl)methoxy]propyl]-dimethylsilane is CCC1(COC(=O)OCC2(CC)COC2)COC1.CCC1(COCCC[Si](C)(C)O[SiH](C)C)COC1.
What is the InChIKey of bis[(3-ethyloxetan-3-yl)methyl] carbonate;dimethylsilyloxy-[3-[(3-ethyloxetan-3-yl)methoxy]propyl]-dimethylsilane?
The InChIKey is GMJUYBIPCGXQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O5.C13H30O3Si2/c1-3-12(5-15-6-12)9-17-11(14)18-10-13(4-2)7-16-8-13;1-6-13(11-15-12-13)10-14-8-7-9-18(4,5)16-17(2)3/h3-10H2,1-2H3;17H,6-12H2,1-5H3.
What are the key properties of bis[(3-ethyloxetan-3-yl)methyl] carbonate;dimethylsilyloxy-[3-[(3-ethyloxetan-3-yl)methoxy]propyl]-dimethylsilane?
bis[(3-ethyloxetan-3-yl)methyl] carbonate;dimethylsilyloxy-[3-[(3-ethyloxetan-3-yl)methoxy]propyl]-dimethylsilane has a molecular weight of 548.87 g/mol, XLogP of 5.02, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(3-ethyloxetan-3-yl)methyl] carbonate;dimethylsilyloxy-[3-[(3-ethyloxetan-3-yl)methoxy]propyl]-dimethylsilane is sourced from PubChem (CID 158300054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).