[(Z)-4-bromo-3-iodobut-2-enoxy]-tert-butyl-dimethylsilane

C10H20BrIOSi — CID 10000500

IUPAC[(Z)-4-bromo-3-iodobut-2-enoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC/C=C(\I)CBr
InChIInChI=1S/C10H20BrIOSi/c1-10(2,3)14(4,5)13-7-6-9(12)8-11/h6H,7-8H2,1-5H3/b9-6-
InChIKeyJRFCPIHYZIUKAY-TWGQIWQCSA-N
MW391.16 g/mol
LogP4.72
Rot. Bonds4

About [(Z)-4-bromo-3-iodobut-2-enoxy]-tert-butyl-dimethylsilane

[(Z)-4-bromo-3-iodobut-2-enoxy]-tert-butyl-dimethylsilane (PubChem CID 10000500) has the molecular formula C10H20BrIOSi and a molecular weight of 391.16 g/mol. Its IUPAC name is [(Z)-4-bromo-3-iodobut-2-enoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(Z)-4-bromo-3-iodobut-2-enoxy]-tert-butyl-dimethylsilane
PubChem CID10000500
Molecular FormulaC10H20BrIOSi
Molecular Weight391.16 g/mol
Exact Mass389.95
IUPAC Name[(Z)-4-bromo-3-iodobut-2-enoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC/C=C(\I)CBr
InChIInChI=1S/C10H20BrIOSi/c1-10(2,3)14(4,5)13-7-6-9(12)8-11/h6H,7-8H2,1-5H3/b9-6-
InChIKeyJRFCPIHYZIUKAY-TWGQIWQCSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.16
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-(4-bromobut-2-enyloxy)(tert-butyl)dimethylsilane
CID 10999946
O-tert-Butyldimethylsilyl-3-iodo-(2E)-buten-1-ol
CID 11001446
[(E)-4-bromobut-2-enoxy]-tert-butyl-dimethylsilane
CID 11254102
[(Z)-3-iodobut-2-enoxy]-tri(propan-2-yl)silane
CID 25058880
tert-butyl-[(E)-3-fluoro-4-iodobut-2-enoxy]-dimethylsilane
CID 23394316
Tert-butyl-(3-fluoro-4-iodobut-2-enoxy)-dimethylsilane
CID 74047270
[(E)-4-bromo-2-methylbut-2-enoxy]-tert-butyl-dimethylsilane
CID 11161775
[(E)-3-bromobut-2-enoxy]-tert-butyl-dimethylsilane
CID 11780406
((4-Bromo-3-methylbut-2-en-1-yl)oxy)(tert-butyl)dimethylsilane
CID 11000419
[(E)-4-bromo-2-methylbut-2-enoxy]-triethylsilane
CID 11323435
3-Iodobut-2-enoxy-tri(propan-2-yl)silane
CID 53976664
2-Bromoethyl-bis(but-2-enoxy)-methylsilane
CID 54172886

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-bromo-3-iodobut-2-enoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(Z)-4-bromo-3-iodobut-2-enoxy]-tert-butyl-dimethylsilane (CID 10000500) is [(Z)-4-bromo-3-iodobut-2-enoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(Z)-4-bromo-3-iodobut-2-enoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(Z)-4-bromo-3-iodobut-2-enoxy]-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC/C=C(\I)CBr.
What is the InChIKey of [(Z)-4-bromo-3-iodobut-2-enoxy]-tert-butyl-dimethylsilane?
The InChIKey is JRFCPIHYZIUKAY-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H20BrIOSi/c1-10(2,3)14(4,5)13-7-6-9(12)8-11/h6H,7-8H2,1-5H3/b9-6-.
What are the key properties of [(Z)-4-bromo-3-iodobut-2-enoxy]-tert-butyl-dimethylsilane?
[(Z)-4-bromo-3-iodobut-2-enoxy]-tert-butyl-dimethylsilane has a molecular weight of 391.16 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-bromo-3-iodobut-2-enoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 10000500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).