(3S)-1,1-dibromo-3-[tert-butyl(dimethyl)silyl]oxybutan-2-one

C10H20Br2O2Si — CID 10970420

IUPAC(3S)-1,1-dibromo-3-[tert-butyl(dimethyl)silyl]oxybutan-2-one
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)C(Br)Br
InChIInChI=1S/C10H20Br2O2Si/c1-7(8(13)9(11)12)14-15(5,6)10(2,3)4/h7,9H,1-6H3/t7-/m0/s1
InChIKeyDDFCANSGFVTMFJ-ZETCQYMHSA-N
MW360.16 g/mol
LogP4.08
Rot. Bonds4

About (3S)-1,1-dibromo-3-[tert-butyl(dimethyl)silyl]oxybutan-2-one

(3S)-1,1-dibromo-3-[tert-butyl(dimethyl)silyl]oxybutan-2-one (PubChem CID 10970420) has the molecular formula C10H20Br2O2Si and a molecular weight of 360.16 g/mol. Its IUPAC name is (3S)-1,1-dibromo-3-[tert-butyl(dimethyl)silyl]oxybutan-2-one.

Molecular Properties

Compound Name(3S)-1,1-dibromo-3-[tert-butyl(dimethyl)silyl]oxybutan-2-one
PubChem CID10970420
Molecular FormulaC10H20Br2O2Si
Molecular Weight360.16 g/mol
Exact Mass357.96
IUPAC Name(3S)-1,1-dibromo-3-[tert-butyl(dimethyl)silyl]oxybutan-2-one
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)C(Br)Br
InChIInChI=1S/C10H20Br2O2Si/c1-7(8(13)9(11)12)14-15(5,6)10(2,3)4/h7,9H,1-6H3/t7-/m0/s1
InChIKeyDDFCANSGFVTMFJ-ZETCQYMHSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.16
LogP ≤ 54.08
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

(2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 14358757
4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-one
CID 553195
2-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-one
CID 173049340
(2S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4-methyloctan-3-one
CID 102064835
tert-butyl-dimethyl-(3-methylbut-3-en-2-yloxy)silane
CID 15935934
3-[tert-butyl(dimethyl)silyl]oxy-2-diazobutanoic acid
CID 57177157
2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid
CID 14412199
1-[tert-butyl(dimethyl)silyl]oxyethanol
CID 22038232
ethyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]propanoyloxy]propanoate
CID 10177567
(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-en-2-one
CID 42643391
1-[tert-butyl(dimethyl)silyl]oxyethylcarbamic acid
CID 175475346
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid
CID 100971723

Frequently Asked Questions

What is the IUPAC name of (3S)-1,1-dibromo-3-[tert-butyl(dimethyl)silyl]oxybutan-2-one?
The IUPAC name of (3S)-1,1-dibromo-3-[tert-butyl(dimethyl)silyl]oxybutan-2-one (CID 10970420) is (3S)-1,1-dibromo-3-[tert-butyl(dimethyl)silyl]oxybutan-2-one.
What is the SMILES notation for (3S)-1,1-dibromo-3-[tert-butyl(dimethyl)silyl]oxybutan-2-one?
The canonical SMILES for (3S)-1,1-dibromo-3-[tert-butyl(dimethyl)silyl]oxybutan-2-one is C[C@H](O[Si](C)(C)C(C)(C)C)C(=O)C(Br)Br.
What is the InChIKey of (3S)-1,1-dibromo-3-[tert-butyl(dimethyl)silyl]oxybutan-2-one?
The InChIKey is DDFCANSGFVTMFJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H20Br2O2Si/c1-7(8(13)9(11)12)14-15(5,6)10(2,3)4/h7,9H,1-6H3/t7-/m0/s1.
What are the key properties of (3S)-1,1-dibromo-3-[tert-butyl(dimethyl)silyl]oxybutan-2-one?
(3S)-1,1-dibromo-3-[tert-butyl(dimethyl)silyl]oxybutan-2-one has a molecular weight of 360.16 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,1-dibromo-3-[tert-butyl(dimethyl)silyl]oxybutan-2-one is sourced from PubChem (CID 10970420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).