1-[tert-butyl(dimethyl)silyl]oxyoctan-3-one

C14H30O2Si — CID 10682669

IUPAC1-[tert-butyl(dimethyl)silyl]oxyoctan-3-one
SMILESCCCCCC(=O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-7-8-9-10-13(15)11-12-16-17(5,6)14(2,3)4/h7-12H2,1-6H3
InChIKeyNIBWSIFKWHLEIF-UHFFFAOYSA-N
MW258.48 g/mol
LogP4.55
Rot. Bonds8

About 1-[tert-butyl(dimethyl)silyl]oxyoctan-3-one

1-[tert-butyl(dimethyl)silyl]oxyoctan-3-one (PubChem CID 10682669) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxyoctan-3-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxyoctan-3-one
PubChem CID10682669
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxyoctan-3-one
SMILESCCCCCC(=O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-7-8-9-10-13(15)11-12-16-17(5,6)14(2,3)4/h7-12H2,1-6H3
InChIKeyNIBWSIFKWHLEIF-UHFFFAOYSA-N
XLogP4.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-((Tert-butyldimethylsilyl)oxy)hexan-3-one
CID 58354548
(R)-3-(t-butyl-dimethylsiloxy)tetradecanal
CID 10893271
(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctanal
CID 11345944
(3S)-3-(((1,1-Dimethylethyl)dimethylsilyl)oxy)tetradecanal
CID 11580953
(7S)-7-[tert-butyl(dimethyl)silyl]oxyoctan-4-one
CID 10244268
4-[Tert-butyl(dimethyl)silyl]peroxyoctan-2-one
CID 10612403
(3R)-3-[tert-butyl(dimethyl)silyl]oxydecanal
CID 10803167
(3S)-3-[tert-butyl(dimethyl)silyl]oxydecanal
CID 15308747
14-{[tert-Butyl(dimethyl)silyl]oxy}tetradecan-2-one
CID 71426209
16-Triethylsilyloxyhexadecan-2-one
CID 86010278
(4R)-4-trimethylsilyloxyoctan-2-one
CID 135036825
(6R)-6-[tert-butyl(dimethyl)silyl]oxyoctan-3-one
CID 135039894

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxyoctan-3-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxyoctan-3-one (CID 10682669) is 1-[tert-butyl(dimethyl)silyl]oxyoctan-3-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxyoctan-3-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxyoctan-3-one is CCCCCC(=O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxyoctan-3-one?
The InChIKey is NIBWSIFKWHLEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-7-8-9-10-13(15)11-12-16-17(5,6)14(2,3)4/h7-12H2,1-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxyoctan-3-one?
1-[tert-butyl(dimethyl)silyl]oxyoctan-3-one has a molecular weight of 258.48 g/mol, XLogP of 4.55, 8 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]oxyoctan-3-one is sourced from PubChem (CID 10682669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).