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

C12H26OSi — CID 15685380

IUPAC1-[tert-butyl(dimethyl)silyl]hexan-1-one
SMILESCCCCCC(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26OSi/c1-7-8-9-10-11(13)14(5,6)12(2,3)4/h7-10H2,1-6H3
InChIKeyUFAFDCQLYPCHGH-UHFFFAOYSA-N
MW214.42 g/mol
LogP4.18
Rot. Bonds5

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

1-[tert-butyl(dimethyl)silyl]hexan-1-one (PubChem CID 15685380) has the molecular formula C12H26OSi and a molecular weight of 214.42 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]hexan-1-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]hexan-1-one
PubChem CID15685380
Molecular FormulaC12H26OSi
Molecular Weight214.42 g/mol
Exact Mass214.18
IUPAC Name1-[tert-butyl(dimethyl)silyl]hexan-1-one
SMILESCCCCCC(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26OSi/c1-7-8-9-10-11(13)14(5,6)12(2,3)4/h7-10H2,1-6H3
InChIKeyUFAFDCQLYPCHGH-UHFFFAOYSA-N
XLogP4.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.42
LogP ≤ 54.18
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'}

Analyze 1-[tert-butyl(dimethyl)silyl]hexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Silane, trimethyl(1-oxohexyl)-
CID 163012
Octyl trimethylsilyl ketone
CID 3538356
(2R)-2-[tert-butyl(dimethyl)silyl]cyclohexan-1-one
CID 11052982
Undecanoyl-trimethylsilane
CID 13601208
2-[Tert-butyl(dimethyl)silyl]hexan-3-one
CID 15033613
1-Trimethylsilyldecan-1-one
CID 11790984
1-(Trimethylsilyl)heptan-1-one
CID 12829476
6-Trimethylsilylhexan-2-one
CID 10080847
1-[Tert-butyl(dimethyl)silyl]nonan-1-one
CID 3697443
Silane, (1,6-dioxo-1,6-hexanediyl)bis[(1,1-dimethylethyl)dimethyl-
CID 10712367
1-[Tert-butyl(dimethyl)silyl]octan-1-one
CID 10728899
Silane, tris(1-methylethyl)(1-oxohexyl)-
CID 11076084

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]hexan-1-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]hexan-1-one (CID 15685380) is 1-[tert-butyl(dimethyl)silyl]hexan-1-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]hexan-1-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]hexan-1-one is CCCCCC(=O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]hexan-1-one?
The InChIKey is UFAFDCQLYPCHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26OSi/c1-7-8-9-10-11(13)14(5,6)12(2,3)4/h7-10H2,1-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]hexan-1-one?
1-[tert-butyl(dimethyl)silyl]hexan-1-one has a molecular weight of 214.42 g/mol, XLogP of 4.18, 5 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]hexan-1-one is sourced from PubChem (CID 15685380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).