4-[methyl-bis(trimethylsilyloxy)silyl]butyl acetate

C13H32O4Si3 — CID 18469586

IUPAC4-[methyl-bis(trimethylsilyloxy)silyl]butyl acetate
SMILESCC(=O)OCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C13H32O4Si3/c1-13(14)15-11-9-10-12-20(8,16-18(2,3)4)17-19(5,6)7/h9-12H2,1-8H3
InChIKeyASOPDLWXTVCDLO-UHFFFAOYSA-N
MW336.65 g/mol
LogP4.10
Rot. Bonds9

About 4-[methyl-bis(trimethylsilyloxy)silyl]butyl acetate

4-[methyl-bis(trimethylsilyloxy)silyl]butyl acetate (PubChem CID 18469586) has the molecular formula C13H32O4Si3 and a molecular weight of 336.65 g/mol. Its IUPAC name is 4-[methyl-bis(trimethylsilyloxy)silyl]butyl acetate.

Molecular Properties

Compound Name4-[methyl-bis(trimethylsilyloxy)silyl]butyl acetate
PubChem CID18469586
Molecular FormulaC13H32O4Si3
Molecular Weight336.65 g/mol
Exact Mass336.16
IUPAC Name4-[methyl-bis(trimethylsilyloxy)silyl]butyl acetate
SMILESCC(=O)OCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C13H32O4Si3/c1-13(14)15-11-9-10-12-20(8,16-18(2,3)4)17-19(5,6)7/h9-12H2,1-8H3
InChIKeyASOPDLWXTVCDLO-UHFFFAOYSA-N
XLogP4.10
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.65
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-[methyl-bis(trimethylsilyloxy)silyl]butyl acetate?
The IUPAC name of 4-[methyl-bis(trimethylsilyloxy)silyl]butyl acetate (CID 18469586) is 4-[methyl-bis(trimethylsilyloxy)silyl]butyl acetate.
What is the SMILES notation for 4-[methyl-bis(trimethylsilyloxy)silyl]butyl acetate?
The canonical SMILES for 4-[methyl-bis(trimethylsilyloxy)silyl]butyl acetate is CC(=O)OCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 4-[methyl-bis(trimethylsilyloxy)silyl]butyl acetate?
The InChIKey is ASOPDLWXTVCDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H32O4Si3/c1-13(14)15-11-9-10-12-20(8,16-18(2,3)4)17-19(5,6)7/h9-12H2,1-8H3.
What are the key properties of 4-[methyl-bis(trimethylsilyloxy)silyl]butyl acetate?
4-[methyl-bis(trimethylsilyloxy)silyl]butyl acetate has a molecular weight of 336.65 g/mol, XLogP of 4.10, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-bis(trimethylsilyloxy)silyl]butyl acetate is sourced from PubChem (CID 18469586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).