tert-butyl-[(2R,3S)-2-(2,2-dibromoethenyl)oxan-3-yl]oxy-dimethylsilane

C13H24Br2O2Si — CID 10573047

IUPACtert-butyl-[(2R,3S)-2-(2,2-dibromoethenyl)oxan-3-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1C=C(Br)Br
InChIInChI=1S/C13H24Br2O2Si/c1-13(2,3)18(4,5)17-10-7-6-8-16-11(10)9-12(14)15/h9-11H,6-8H2,1-5H3/t10-,11+/m0/s1
InChIKeyIDOPLSLTVNJCQZ-WDEREUQCSA-N
MW400.23 g/mol
LogP5.19
Rot. Bonds3

About tert-butyl-[(2R,3S)-2-(2,2-dibromoethenyl)oxan-3-yl]oxy-dimethylsilane

tert-butyl-[(2R,3S)-2-(2,2-dibromoethenyl)oxan-3-yl]oxy-dimethylsilane (PubChem CID 10573047) has the molecular formula C13H24Br2O2Si and a molecular weight of 400.23 g/mol. Its IUPAC name is tert-butyl-[(2R,3S)-2-(2,2-dibromoethenyl)oxan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3S)-2-(2,2-dibromoethenyl)oxan-3-yl]oxy-dimethylsilane
PubChem CID10573047
Molecular FormulaC13H24Br2O2Si
Molecular Weight400.23 g/mol
Exact Mass397.99
IUPAC Nametert-butyl-[(2R,3S)-2-(2,2-dibromoethenyl)oxan-3-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1C=C(Br)Br
InChIInChI=1S/C13H24Br2O2Si/c1-13(2,3)18(4,5)17-10-7-6-8-16-11(10)9-12(14)15/h9-11H,6-8H2,1-5H3/t10-,11+/m0/s1
InChIKeyIDOPLSLTVNJCQZ-WDEREUQCSA-N
XLogP5.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.23
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-ol
CID 129404592
tert-butyl-dimethyl-[(2R,3S)-2-methyloxan-3-yl]oxysilane
CID 135079146
ethyl (E)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 11587717
(2S)-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2-carbaldehyde
CID 168819907
tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane
CID 158464609
[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol
CID 170904845
[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol
CID 170904797
tert-butyl-[(1S,2R)-2-[(E)-1-iodoprop-1-en-2-yl]cyclohexyl]oxy-dimethylsilane
CID 71619673
tert-butyl-dimethyl-[(1S,2S)-2-(1-trimethylsilylethenyl)cyclopentyl]oxysilane
CID 102254534
(3S)-3-bromo-1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-4-phenylmethoxybutan-2-one
CID 100947243
(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol
CID 101111315
3-[2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propan-1-ol
CID 70178632

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3S)-2-(2,2-dibromoethenyl)oxan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3S)-2-(2,2-dibromoethenyl)oxan-3-yl]oxy-dimethylsilane (CID 10573047) is tert-butyl-[(2R,3S)-2-(2,2-dibromoethenyl)oxan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3S)-2-(2,2-dibromoethenyl)oxan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3S)-2-(2,2-dibromoethenyl)oxan-3-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1C=C(Br)Br.
What is the InChIKey of tert-butyl-[(2R,3S)-2-(2,2-dibromoethenyl)oxan-3-yl]oxy-dimethylsilane?
The InChIKey is IDOPLSLTVNJCQZ-WDEREUQCSA-N. The full InChI is InChI=1S/C13H24Br2O2Si/c1-13(2,3)18(4,5)17-10-7-6-8-16-11(10)9-12(14)15/h9-11H,6-8H2,1-5H3/t10-,11+/m0/s1.
What are the key properties of tert-butyl-[(2R,3S)-2-(2,2-dibromoethenyl)oxan-3-yl]oxy-dimethylsilane?
tert-butyl-[(2R,3S)-2-(2,2-dibromoethenyl)oxan-3-yl]oxy-dimethylsilane has a molecular weight of 400.23 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3S)-2-(2,2-dibromoethenyl)oxan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 10573047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).