bis[4-[dimethyl(2-trimethylsilylethyl)silyl]butyl] carbonate

C23H54O3Si4 — CID 175499492

IUPACbis[4-[dimethyl(2-trimethylsilylethyl)silyl]butyl] carbonate
SMILESC[Si](C)(C)CC[Si](C)(C)CCCCOC(=O)OCCCC[Si](C)(C)CC[Si](C)(C)C
InChIInChI=1S/C23H54O3Si4/c1-27(2,3)19-21-29(7,8)17-13-11-15-25-23(24)26-16-12-14-18-30(9,10)22-20-28(4,5)6/h11-22H2,1-10H3
InChIKeyAIPRVGMEDDZSSA-UHFFFAOYSA-N
MW491.03 g/mol
LogP8.79
Rot. Bonds16

About bis[4-[dimethyl(2-trimethylsilylethyl)silyl]butyl] carbonate

bis[4-[dimethyl(2-trimethylsilylethyl)silyl]butyl] carbonate (PubChem CID 175499492) has the molecular formula C23H54O3Si4 and a molecular weight of 491.03 g/mol. Its IUPAC name is bis[4-[dimethyl(2-trimethylsilylethyl)silyl]butyl] carbonate.

Molecular Properties

Compound Namebis[4-[dimethyl(2-trimethylsilylethyl)silyl]butyl] carbonate
PubChem CID175499492
Molecular FormulaC23H54O3Si4
Molecular Weight491.03 g/mol
Exact Mass490.32
IUPAC Namebis[4-[dimethyl(2-trimethylsilylethyl)silyl]butyl] carbonate
SMILESC[Si](C)(C)CC[Si](C)(C)CCCCOC(=O)OCCCC[Si](C)(C)CC[Si](C)(C)C
InChIInChI=1S/C23H54O3Si4/c1-27(2,3)19-21-29(7,8)17-13-11-15-25-23(24)26-16-12-14-18-30(9,10)22-20-28(4,5)6/h11-22H2,1-10H3
InChIKeyAIPRVGMEDDZSSA-UHFFFAOYSA-N
XLogP8.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.03
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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[4-[dimethyl(2-trimethylsilylethyl)silyl]butyl] carbonate?
The IUPAC name of bis[4-[dimethyl(2-trimethylsilylethyl)silyl]butyl] carbonate (CID 175499492) is bis[4-[dimethyl(2-trimethylsilylethyl)silyl]butyl] carbonate.
What is the SMILES notation for bis[4-[dimethyl(2-trimethylsilylethyl)silyl]butyl] carbonate?
The canonical SMILES for bis[4-[dimethyl(2-trimethylsilylethyl)silyl]butyl] carbonate is C[Si](C)(C)CC[Si](C)(C)CCCCOC(=O)OCCCC[Si](C)(C)CC[Si](C)(C)C.
What is the InChIKey of bis[4-[dimethyl(2-trimethylsilylethyl)silyl]butyl] carbonate?
The InChIKey is AIPRVGMEDDZSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H54O3Si4/c1-27(2,3)19-21-29(7,8)17-13-11-15-25-23(24)26-16-12-14-18-30(9,10)22-20-28(4,5)6/h11-22H2,1-10H3.
What are the key properties of bis[4-[dimethyl(2-trimethylsilylethyl)silyl]butyl] carbonate?
bis[4-[dimethyl(2-trimethylsilylethyl)silyl]butyl] carbonate has a molecular weight of 491.03 g/mol, XLogP of 8.79, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-[dimethyl(2-trimethylsilylethyl)silyl]butyl] carbonate is sourced from PubChem (CID 175499492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).