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

C12H26O2Si — CID 72819705

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-3-one
SMILESCCC(=O)C(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-8-11(13)10(2)9-14-15(6,7)12(3,4)5/h10H,8-9H2,1-7H3
InChIKeyQOVFLHZLNMSDIV-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.62
Rot. Bonds5

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

1-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-3-one (PubChem CID 72819705) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-3-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-3-one
PubChem CID72819705
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-3-one
SMILESCCC(=O)C(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-8-11(13)10(2)9-14-15(6,7)12(3,4)5/h10H,8-9H2,1-7H3
InChIKeyQOVFLHZLNMSDIV-UHFFFAOYSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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

(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid
CID 87766399
2-methyl-1-tri(propan-2-yl)silyloxypentan-3-one
CID 71345142
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
tert-butyl (2R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate
CID 132916594
S-methyl N-[[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoyl]amino]carbamothioate
CID 88910598
tert-butyl-dimethyl-[(2S)-2-methylbutoxy]silane
CID 133082116
(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
CID 86606837
(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-one
CID 11672982
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylheptan-2-one
CID 11043924
(5S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,6-dimethylheptan-3-one
CID 101412599
(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-one
CID 11044870
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-3-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-3-one (CID 72819705) is 1-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-3-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-3-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-3-one is CCC(=O)C(C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-3-one?
The InChIKey is QOVFLHZLNMSDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-8-11(13)10(2)9-14-15(6,7)12(3,4)5/h10H,8-9H2,1-7H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-3-one?
1-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-3-one has a molecular weight of 230.42 g/mol, XLogP of 3.62, 5 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-2-methylpentan-3-one is sourced from PubChem (CID 72819705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).