6-bromo-1-[tert-butyl(dimethyl)silyl]oxyheptan-2-one

C13H27BrO2Si — CID 155600165

IUPAC6-bromo-1-[tert-butyl(dimethyl)silyl]oxyheptan-2-one
SMILESCC(Br)CCCC(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H27BrO2Si/c1-11(14)8-7-9-12(15)10-16-17(5,6)13(2,3)4/h11H,7-10H2,1-6H3
InChIKeyWTRDDYMNMSXUBW-UHFFFAOYSA-N
MW323.35 g/mol
LogP4.53
Rot. Bonds7

About 6-bromo-1-[tert-butyl(dimethyl)silyl]oxyheptan-2-one

6-bromo-1-[tert-butyl(dimethyl)silyl]oxyheptan-2-one (PubChem CID 155600165) has the molecular formula C13H27BrO2Si and a molecular weight of 323.35 g/mol. Its IUPAC name is 6-bromo-1-[tert-butyl(dimethyl)silyl]oxyheptan-2-one.

Molecular Properties

Compound Name6-bromo-1-[tert-butyl(dimethyl)silyl]oxyheptan-2-one
PubChem CID155600165
Molecular FormulaC13H27BrO2Si
Molecular Weight323.35 g/mol
Exact Mass322.10
IUPAC Name6-bromo-1-[tert-butyl(dimethyl)silyl]oxyheptan-2-one
SMILESCC(Br)CCCC(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H27BrO2Si/c1-11(14)8-7-9-12(15)10-16-17(5,6)13(2,3)4/h11H,7-10H2,1-6H3
InChIKeyWTRDDYMNMSXUBW-UHFFFAOYSA-N
XLogP4.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,10S)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undecan-6-one
CID 10598768
[(3S)-3-bromobutoxy]-tert-butyl-dimethylsilane
CID 125499133
propan-2-yl 2-[tert-butyl(dimethyl)silyl]oxyacetate
CID 14922737
15-[tert-butyl(dimethyl)silyl]oxy-9-oxopentadecanoic acid
CID 168962220
1-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)propan-2-one
CID 11066269
5-[tert-butyl(dimethyl)silyl]oxy-1-chloropentan-2-one
CID 57382632
6-methyl-1-[(2-methylpropan-2-yl)oxy]heptan-2-one
CID 105125614
(Z)-3-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enamide
CID 134964281
[(2R,3S)-3-bromo-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] acetate
CID 23254785
methyl (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate
CID 11737070
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylheptan-2-one
CID 11043924
methyl (2R,3R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
CID 134934318

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[tert-butyl(dimethyl)silyl]oxyheptan-2-one?
The IUPAC name of 6-bromo-1-[tert-butyl(dimethyl)silyl]oxyheptan-2-one (CID 155600165) is 6-bromo-1-[tert-butyl(dimethyl)silyl]oxyheptan-2-one.
What is the SMILES notation for 6-bromo-1-[tert-butyl(dimethyl)silyl]oxyheptan-2-one?
The canonical SMILES for 6-bromo-1-[tert-butyl(dimethyl)silyl]oxyheptan-2-one is CC(Br)CCCC(=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 6-bromo-1-[tert-butyl(dimethyl)silyl]oxyheptan-2-one?
The InChIKey is WTRDDYMNMSXUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27BrO2Si/c1-11(14)8-7-9-12(15)10-16-17(5,6)13(2,3)4/h11H,7-10H2,1-6H3.
What are the key properties of 6-bromo-1-[tert-butyl(dimethyl)silyl]oxyheptan-2-one?
6-bromo-1-[tert-butyl(dimethyl)silyl]oxyheptan-2-one has a molecular weight of 323.35 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[tert-butyl(dimethyl)silyl]oxyheptan-2-one is sourced from PubChem (CID 155600165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).