1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-one

C12H26O2Si — CID 11701393

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-one
SMILESCC(C)(C)C(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-11(2,3)10(13)9-14-15(7,8)12(4,5)6/h9H2,1-8H3
InChIKeyTYFXLTCPYHUXJD-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.62
Rot. Bonds3

About 1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-one

1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-one (PubChem CID 11701393) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-one
PubChem CID11701393
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-one
SMILESCC(C)(C)C(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-11(2,3)10(13)9-14-15(7,8)12(4,5)6/h9H2,1-8H3
InChIKeyTYFXLTCPYHUXJD-UHFFFAOYSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.62
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

2-Butanone, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 11041831
1-(tert-Butyldimethylsilyloxy)-2-propanone
CID 4124969
1-[Tert-butyl(dimethyl)silyl]oxybutan-2-one
CID 11310202
4-[Tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-one
CID 12098487
(3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-one
CID 10822006
3-Pentanone, 2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (2S)-
CID 11009378
(s)-4-Trimethylsilyloxy-5,5-dimethyl-3-hexanone
CID 12641556
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhexan-3-one
CID 15635930
(2R)-2-{[tert-Butyl(dimethyl)silyl]oxy}pentan-3-one
CID 56590592
1-[Methoxy(dimethyl)silyl]-3,3-dimethyl-1-trimethylsilylbutan-2-one
CID 14640995
2,2,6,6,9,9-Hexamethyl-3,8-dioxa-2,9-disiladecan-5-one
CID 91696622
1-Triethylsilyloxybutan-2-one
CID 10965591

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-one (CID 11701393) is 1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-one is CC(C)(C)C(=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-one?
The InChIKey is TYFXLTCPYHUXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-11(2,3)10(13)9-14-15(7,8)12(4,5)6/h9H2,1-8H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-one?
1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-one has a molecular weight of 230.42 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-one is sourced from PubChem (CID 11701393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).