1-[tert-butyl(dimethyl)silyl]octan-1-one

C14H30OSi — CID 10728899

IUPAC1-[tert-butyl(dimethyl)silyl]octan-1-one
SMILESCCCCCCCC(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30OSi/c1-7-8-9-10-11-12-13(15)16(5,6)14(2,3)4/h7-12H2,1-6H3
InChIKeyOHRSDNPFKNUKOD-UHFFFAOYSA-N
MW242.48 g/mol
LogP4.96
Rot. Bonds7

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

1-[tert-butyl(dimethyl)silyl]octan-1-one (PubChem CID 10728899) has the molecular formula C14H30OSi and a molecular weight of 242.48 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]octan-1-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]octan-1-one
PubChem CID10728899
Molecular FormulaC14H30OSi
Molecular Weight242.48 g/mol
Exact Mass242.21
IUPAC Name1-[tert-butyl(dimethyl)silyl]octan-1-one
SMILESCCCCCCCC(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30OSi/c1-7-8-9-10-11-12-13(15)16(5,6)14(2,3)4/h7-12H2,1-6H3
InChIKeyOHRSDNPFKNUKOD-UHFFFAOYSA-N
XLogP4.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.48
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

Silane, trimethyl(1-oxohexyl)-
CID 163012
Octyl trimethylsilyl ketone
CID 3538356
Undecanoyl-trimethylsilane
CID 13601208
1-[Tert-butyl(dimethyl)silyl]hexan-1-one
CID 15685380
1-Trimethylsilyldecan-1-one
CID 11790984
1-(Trimethylsilyl)heptan-1-one
CID 12829476
1,1-Dimethylsilacyclotridecan-7-one
CID 554403
1-[Tert-butyl(dimethyl)silyl]nonan-1-one
CID 3697443
1-Triethylsilyloctan-3-one
CID 10332003
(2R)-2-[tert-butyl(dimethyl)silyl]cycloheptan-1-one
CID 10878880
Silane, trimethyl(1-oxooctyl)-
CID 11117077
1-Triethylsilylheptan-1-one
CID 11447533

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]octan-1-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]octan-1-one (CID 10728899) is 1-[tert-butyl(dimethyl)silyl]octan-1-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]octan-1-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]octan-1-one is CCCCCCCC(=O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]octan-1-one?
The InChIKey is OHRSDNPFKNUKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30OSi/c1-7-8-9-10-11-12-13(15)16(5,6)14(2,3)4/h7-12H2,1-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]octan-1-one?
1-[tert-butyl(dimethyl)silyl]octan-1-one has a molecular weight of 242.48 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]octan-1-one is sourced from PubChem (CID 10728899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).