[butyl(dimethyl)silyl] acetate

C8H18O2Si — CID 22926546

IUPAC[butyl(dimethyl)silyl] acetate
SMILESCCCC[Si](C)(C)OC(C)=O
InChIInChI=1S/C8H18O2Si/c1-5-6-7-11(3,4)10-8(2)9/h5-7H2,1-4H3
InChIKeyUKLDNUWCWIFOMP-UHFFFAOYSA-N
MW174.32 g/mol
LogP2.55
Rot. Bonds4

About [butyl(dimethyl)silyl] acetate

[butyl(dimethyl)silyl] acetate (PubChem CID 22926546) has the molecular formula C8H18O2Si and a molecular weight of 174.32 g/mol. Its IUPAC name is [butyl(dimethyl)silyl] acetate.

Molecular Properties

Compound Name[butyl(dimethyl)silyl] acetate
PubChem CID22926546
Molecular FormulaC8H18O2Si
Molecular Weight174.32 g/mol
Exact Mass174.11
IUPAC Name[butyl(dimethyl)silyl] acetate
SMILESCCCC[Si](C)(C)OC(C)=O
InChIInChI=1S/C8H18O2Si/c1-5-6-7-11(3,4)10-8(2)9/h5-7H2,1-4H3
InChIKeyUKLDNUWCWIFOMP-UHFFFAOYSA-N
XLogP2.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.32
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[dimethyl(3-propoxypropyl)silyl] acetate
CID 87590503
[3-methoxypropyl(dimethyl)silyl] acetate
CID 87592350
3-[acetyloxy(dimethyl)silyl]propyl acetate
CID 18787770
[3-[acetyloxy(dibutyl)silyl]propyl-dibutylsilyl] acetate
CID 87144314
butyl-methoxy-dimethylsilane;2-methylprop-2-enamide
CID 158277654
[butyl-di(propan-2-yl)silyl] acetate
CID 87113830
[diacetyloxy(butyl)silyl] acetate;prop-2-enamide
CID 158770518
tridodecylsilyl acetate
CID 22926548
[[4-[acetyloxy(dibutyl)silyl]phenyl]-dibutylsilyl] acetate
CID 66773624
[hexyl(dimethyl)silyl] octadecanoate
CID 175031118
[3-(2,3-dimethoxypropoxy)propyl-dimethylsilyl] acetate
CID 87590933
[dibutyl(2-methylprop-2-enoyloxy)silyl] 2-methylprop-2-enoate
CID 153439669

Frequently Asked Questions

What is the IUPAC name of [butyl(dimethyl)silyl] acetate?
The IUPAC name of [butyl(dimethyl)silyl] acetate (CID 22926546) is [butyl(dimethyl)silyl] acetate.
What is the SMILES notation for [butyl(dimethyl)silyl] acetate?
The canonical SMILES for [butyl(dimethyl)silyl] acetate is CCCC[Si](C)(C)OC(C)=O.
What is the InChIKey of [butyl(dimethyl)silyl] acetate?
The InChIKey is UKLDNUWCWIFOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2Si/c1-5-6-7-11(3,4)10-8(2)9/h5-7H2,1-4H3.
What are the key properties of [butyl(dimethyl)silyl] acetate?
[butyl(dimethyl)silyl] acetate has a molecular weight of 174.32 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [butyl(dimethyl)silyl] acetate is sourced from PubChem (CID 22926546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).