tert-butyl-[3-(2,2-dibromoethenyl)-4-(trideuteriomethyl)cyclohex-3-en-1-yl]oxy-diphenylsilane

C25H30Br2OSi — CID 10324922

IUPACtert-butyl-[3-(2,2-dibromoethenyl)-4-(trideuteriomethyl)cyclohex-3-en-1-yl]oxy-diphenylsilane
SMILES[2H]C([2H])([2H])C1=C(C=C(Br)Br)CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C25H30Br2OSi/c1-19-15-16-21(17-20(19)18-24(26)27)28-29(25(2,3)4,22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-14,18,21H,15-17H2,1-4H3/i1D3
InChIKeyNPFOQHSFJAFASC-FIBGUPNXSA-N
MW537.43 g/mol
LogP7.06
Rot. Bonds6

About tert-butyl-[3-(2,2-dibromoethenyl)-4-(trideuteriomethyl)cyclohex-3-en-1-yl]oxy-diphenylsilane

tert-butyl-[3-(2,2-dibromoethenyl)-4-(trideuteriomethyl)cyclohex-3-en-1-yl]oxy-diphenylsilane (PubChem CID 10324922) has the molecular formula C25H30Br2OSi and a molecular weight of 537.43 g/mol. Its IUPAC name is tert-butyl-[3-(2,2-dibromoethenyl)-4-(trideuteriomethyl)cyclohex-3-en-1-yl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[3-(2,2-dibromoethenyl)-4-(trideuteriomethyl)cyclohex-3-en-1-yl]oxy-diphenylsilane
PubChem CID10324922
Molecular FormulaC25H30Br2OSi
Molecular Weight537.43 g/mol
Exact Mass535.06
IUPAC Nametert-butyl-[3-(2,2-dibromoethenyl)-4-(trideuteriomethyl)cyclohex-3-en-1-yl]oxy-diphenylsilane
SMILES[2H]C([2H])([2H])C1=C(C=C(Br)Br)CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C25H30Br2OSi/c1-19-15-16-21(17-20(19)18-24(26)27)28-29(25(2,3)4,22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-14,18,21H,15-17H2,1-4H3/i1D3
InChIKeyNPFOQHSFJAFASC-FIBGUPNXSA-N
XLogP7.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.43
LogP ≤ 57.06
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

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CID 54720201
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(3-bromocyclobutyl)oxy-tert-butyl-diphenylsilane
CID 142577121
tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
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CID 154401251
2-[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetaldehyde
CID 86594888
tert-butyl 5-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidine-1-carboxylate
CID 131747989
tert-butyl-diphenyl-(4,5,6,7-tetrahydro-1,2-benzoxazol-6-yloxy)silane;methane;4,5,6,7-tetrahydro-1,2-benzoxazol-6-ol
CID 159224445
tert-butyl-diphenyl-[(3R)-pyrrolidin-3-yl]oxysilane
CID 58393504
4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diamine;4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diol
CID 159197453
(1S,2R,4R)-4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1,2-diamine
CID 177070919

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-(2,2-dibromoethenyl)-4-(trideuteriomethyl)cyclohex-3-en-1-yl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[3-(2,2-dibromoethenyl)-4-(trideuteriomethyl)cyclohex-3-en-1-yl]oxy-diphenylsilane (CID 10324922) is tert-butyl-[3-(2,2-dibromoethenyl)-4-(trideuteriomethyl)cyclohex-3-en-1-yl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[3-(2,2-dibromoethenyl)-4-(trideuteriomethyl)cyclohex-3-en-1-yl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[3-(2,2-dibromoethenyl)-4-(trideuteriomethyl)cyclohex-3-en-1-yl]oxy-diphenylsilane is [2H]C([2H])([2H])C1=C(C=C(Br)Br)CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl-[3-(2,2-dibromoethenyl)-4-(trideuteriomethyl)cyclohex-3-en-1-yl]oxy-diphenylsilane?
The InChIKey is NPFOQHSFJAFASC-FIBGUPNXSA-N. The full InChI is InChI=1S/C25H30Br2OSi/c1-19-15-16-21(17-20(19)18-24(26)27)28-29(25(2,3)4,22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-14,18,21H,15-17H2,1-4H3/i1D3.
What are the key properties of tert-butyl-[3-(2,2-dibromoethenyl)-4-(trideuteriomethyl)cyclohex-3-en-1-yl]oxy-diphenylsilane?
tert-butyl-[3-(2,2-dibromoethenyl)-4-(trideuteriomethyl)cyclohex-3-en-1-yl]oxy-diphenylsilane has a molecular weight of 537.43 g/mol, XLogP of 7.06, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-(2,2-dibromoethenyl)-4-(trideuteriomethyl)cyclohex-3-en-1-yl]oxy-diphenylsilane is sourced from PubChem (CID 10324922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).