4-[tert-butyl(dimethyl)silyl]hexan-3-one

C12H26OSi — CID 15033614

IUPAC4-[tert-butyl(dimethyl)silyl]hexan-3-one
SMILESCCC(=O)C(CC)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26OSi/c1-8-10(13)11(9-2)14(6,7)12(3,4)5/h11H,8-9H2,1-7H3
InChIKeyYUUZLWRTHQNWOS-UHFFFAOYSA-N
MW214.42 g/mol
LogP4.25
Rot. Bonds4

About 4-[tert-butyl(dimethyl)silyl]hexan-3-one

4-[tert-butyl(dimethyl)silyl]hexan-3-one (PubChem CID 15033614) has the molecular formula C12H26OSi and a molecular weight of 214.42 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]hexan-3-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]hexan-3-one
PubChem CID15033614
Molecular FormulaC12H26OSi
Molecular Weight214.42 g/mol
Exact Mass214.18
IUPAC Name4-[tert-butyl(dimethyl)silyl]hexan-3-one
SMILESCCC(=O)C(CC)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26OSi/c1-8-10(13)11(9-2)14(6,7)12(3,4)5/h11H,8-9H2,1-7H3
InChIKeyYUUZLWRTHQNWOS-UHFFFAOYSA-N
XLogP4.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.42
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R,5R)-3-[tert-butyl(dimethyl)silyl]-5-fluoroheptan-4-one
CID 15339846
6-Trimethylsilylhexan-4-one
CID 14112750
(3R,5S)-3-[tert-butyl(dimethyl)silyl]-5-fluoroheptan-4-one
CID 15339845
Silacyclooctan-5-one, 1,1-dimethyl-
CID 575201
(2R)-2-[tert-butyl(dimethyl)silyl]cyclohexan-1-one
CID 11052982
1-Trimethylsilylpentan-2-one
CID 12457306
2-[Tert-butyl(dimethyl)silyl]pentan-3-one
CID 13775509
2-[Tert-butyl(dimethyl)silyl]hexan-3-one
CID 15033613
1-[Tert-butyl(dimethyl)silyl]hexan-1-one
CID 15685380
3-Pentanone, 1,5-bis(trimethylsilyl)-
CID 11481640
1-Trimethylsilyloctan-4-one
CID 60040811
Butyldimethylsilylpentadione
CID 87854103

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]hexan-3-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]hexan-3-one (CID 15033614) is 4-[tert-butyl(dimethyl)silyl]hexan-3-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]hexan-3-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]hexan-3-one is CCC(=O)C(CC)[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]hexan-3-one?
The InChIKey is YUUZLWRTHQNWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26OSi/c1-8-10(13)11(9-2)14(6,7)12(3,4)5/h11H,8-9H2,1-7H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]hexan-3-one?
4-[tert-butyl(dimethyl)silyl]hexan-3-one has a molecular weight of 214.42 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]hexan-3-one is sourced from PubChem (CID 15033614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).