(3-bromo-2-iodocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane

C11H20BrIOSi — CID 11697037

IUPAC(3-bromo-2-iodocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CCC(Br)=C1I
InChIInChI=1S/C11H20BrIOSi/c1-11(2,3)15(4,5)14-9-7-6-8(12)10(9)13/h9H,6-7H2,1-5H3
InChIKeyXNFZYPQZNSLUJM-UHFFFAOYSA-N
MW403.17 g/mol
LogP5.21
Rot. Bonds2

About (3-bromo-2-iodocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane

(3-bromo-2-iodocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane (PubChem CID 11697037) has the molecular formula C11H20BrIOSi and a molecular weight of 403.17 g/mol. Its IUPAC name is (3-bromo-2-iodocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(3-bromo-2-iodocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane
PubChem CID11697037
Molecular FormulaC11H20BrIOSi
Molecular Weight403.17 g/mol
Exact Mass401.95
IUPAC Name(3-bromo-2-iodocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CCC(Br)=C1I
InChIInChI=1S/C11H20BrIOSi/c1-11(2,3)15(4,5)14-9-7-6-8(12)10(9)13/h9H,6-7H2,1-5H3
InChIKeyXNFZYPQZNSLUJM-UHFFFAOYSA-N
XLogP5.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.17
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[3-bromo-2-(4-methylphenyl)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 138111138
(3-bromocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane
CID 72711441
tert-butyl-[(1S,3Z)-3-(iodomethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane
CID 134887343
methyl (6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclohexene-1-carboxylate
CID 134964315
2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one
CID 14396580
[(1S)-2-bromo-4,4-dimethylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 99772598
tert-butyl-(3-iodo-4-trimethylsilyloxycyclohex-2-en-1-yl)oxy-dimethylsilane
CID 11026310
tert-butyl-dimethyl-[(4-methylidene-2,3-dihydro-1H-naphthalen-1-yl)oxy]silane
CID 134980286
(4R,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-3-iodo-1,4,5,6,7,7a-hexahydroinden-2-one
CID 12013199
tert-butyl-(5-cyclopentylidenecyclooctyl)oxy-dimethylsilane
CID 10638575
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
[(4R)-6-bromo-3,4-dihydro-2H-chromen-4-yl]oxy-tert-butyl-dimethylsilane
CID 125117332

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-iodocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane?
The IUPAC name of (3-bromo-2-iodocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane (CID 11697037) is (3-bromo-2-iodocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (3-bromo-2-iodocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane?
The canonical SMILES for (3-bromo-2-iodocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC1CCC(Br)=C1I.
What is the InChIKey of (3-bromo-2-iodocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane?
The InChIKey is XNFZYPQZNSLUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrIOSi/c1-11(2,3)15(4,5)14-9-7-6-8(12)10(9)13/h9H,6-7H2,1-5H3.
What are the key properties of (3-bromo-2-iodocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane?
(3-bromo-2-iodocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane has a molecular weight of 403.17 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-iodocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11697037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).