bis[3-[diethoxy(methyl)silyl]propyl] carbonate

C17H38O7Si2 — CID 54561598

IUPACbis[3-[diethoxy(methyl)silyl]propyl] carbonate
SMILESCCO[Si](C)(CCCOC(=O)OCCC[Si](C)(OCC)OCC)OCC
InChIInChI=1S/C17H38O7Si2/c1-7-21-25(5,22-8-2)15-11-13-19-17(18)20-14-12-16-26(6,23-9-3)24-10-4/h7-16H2,1-6H3
InChIKeyZQXVCZDCHRWRDM-UHFFFAOYSA-N
MW410.66 g/mol
LogP4.21
Rot. Bonds16

About bis[3-[diethoxy(methyl)silyl]propyl] carbonate

bis[3-[diethoxy(methyl)silyl]propyl] carbonate (PubChem CID 54561598) has the molecular formula C17H38O7Si2 and a molecular weight of 410.66 g/mol. Its IUPAC name is bis[3-[diethoxy(methyl)silyl]propyl] carbonate.

Molecular Properties

Compound Namebis[3-[diethoxy(methyl)silyl]propyl] carbonate
PubChem CID54561598
Molecular FormulaC17H38O7Si2
Molecular Weight410.66 g/mol
Exact Mass410.22
IUPAC Namebis[3-[diethoxy(methyl)silyl]propyl] carbonate
SMILESCCO[Si](C)(CCCOC(=O)OCCC[Si](C)(OCC)OCC)OCC
InChIInChI=1S/C17H38O7Si2/c1-7-21-25(5,22-8-2)15-11-13-19-17(18)20-14-12-16-26(6,23-9-3)24-10-4/h7-16H2,1-6H3
InChIKeyZQXVCZDCHRWRDM-UHFFFAOYSA-N
XLogP4.21
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.66
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[diethoxy(methyl)silyl]propyl 2-methylprop-2-enoate;tetraethyl silicate
CID 87080022
3-[diethoxy(methyl)silyl]propyl pyridine-4-carboxylate
CID 68839365
diethoxy-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-methylsilane
CID 89097099
3-(ethoxy-methyl-propan-2-yloxysilyl)propyl prop-2-enoate
CID 140990688
ethyl N-[4-[diethoxy(methyl)silyl]butyl]carbamate
CID 22065744
methyl N-[3-[diethoxy(methyl)silyl]propyl]carbamate
CID 22065771
tert-butyl-[3-[diethoxy(methyl)silyl]propoxy]-dimethylsilane
CID 86070963
butyl 2-trimethylsilyloxyethyl carbonate
CID 155712714
3-[dibutoxy(methyl)silyl]propyl prop-2-enoate
CID 21432061
diethoxy-methyl-undecylsilane
CID 140884401
2-bromo-6-[diethoxy(methyl)silyl]-2-methylhexan-3-one
CID 140665528
1,17-bis[diethoxy(methyl)silyl]-8,10-dimethylheptadecan-9-one
CID 87593412

Frequently Asked Questions

What is the IUPAC name of bis[3-[diethoxy(methyl)silyl]propyl] carbonate?
The IUPAC name of bis[3-[diethoxy(methyl)silyl]propyl] carbonate (CID 54561598) is bis[3-[diethoxy(methyl)silyl]propyl] carbonate.
What is the SMILES notation for bis[3-[diethoxy(methyl)silyl]propyl] carbonate?
The canonical SMILES for bis[3-[diethoxy(methyl)silyl]propyl] carbonate is CCO[Si](C)(CCCOC(=O)OCCC[Si](C)(OCC)OCC)OCC.
What is the InChIKey of bis[3-[diethoxy(methyl)silyl]propyl] carbonate?
The InChIKey is ZQXVCZDCHRWRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O7Si2/c1-7-21-25(5,22-8-2)15-11-13-19-17(18)20-14-12-16-26(6,23-9-3)24-10-4/h7-16H2,1-6H3.
What are the key properties of bis[3-[diethoxy(methyl)silyl]propyl] carbonate?
bis[3-[diethoxy(methyl)silyl]propyl] carbonate has a molecular weight of 410.66 g/mol, XLogP of 4.21, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-[diethoxy(methyl)silyl]propyl] carbonate is sourced from PubChem (CID 54561598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).