tert-butyl-[(E)-4-iodo-3-methylbut-3-en-2-yl]oxy-dimethylsilane

C11H23IOSi — CID 134886912

IUPACtert-butyl-[(E)-4-iodo-3-methylbut-3-en-2-yl]oxy-dimethylsilane
SMILESC/C(=C\I)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H23IOSi/c1-9(8-12)10(2)13-14(6,7)11(3,4)5/h8,10H,1-7H3/b9-8+
InChIKeyYSAHRWMHUSJAJY-CMDGGOBGSA-N
MW326.29 g/mol
LogP4.74
Rot. Bonds3

About tert-butyl-[(E)-4-iodo-3-methylbut-3-en-2-yl]oxy-dimethylsilane

tert-butyl-[(E)-4-iodo-3-methylbut-3-en-2-yl]oxy-dimethylsilane (PubChem CID 134886912) has the molecular formula C11H23IOSi and a molecular weight of 326.29 g/mol. Its IUPAC name is tert-butyl-[(E)-4-iodo-3-methylbut-3-en-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-4-iodo-3-methylbut-3-en-2-yl]oxy-dimethylsilane
PubChem CID134886912
Molecular FormulaC11H23IOSi
Molecular Weight326.29 g/mol
Exact Mass326.06
IUPAC Nametert-butyl-[(E)-4-iodo-3-methylbut-3-en-2-yl]oxy-dimethylsilane
SMILESC/C(=C\I)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H23IOSi/c1-9(8-12)10(2)13-14(6,7)11(3,4)5/h8,10H,1-7H3/b9-8+
InChIKeyYSAHRWMHUSJAJY-CMDGGOBGSA-N
XLogP4.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.29
LogP ≤ 54.74
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

Silane, (1,1-dimethylethyl)(((3E)-4-iodo-3-methyl-3-buten-1-yl)oxy)dimethyl-
CID 6443108
tert-butyl-[(E)-3-iodo-2-methylprop-2-enoxy]-dimethylsilane
CID 11220663
Tert-butyl((2-iodoallyl)oxy)dimethylsilane
CID 11426495
tert-butyl-dimethyl-[(3R)-2-methylpent-1-en-3-yl]oxysilane
CID 12568505
Tert-butyl-(3-iodobut-3-enoxy)-dimethylsilane
CID 56975357
Tert-butyl-(2,4-dimethylpenta-1,4-dien-3-yloxy)-dimethylsilane
CID 11172192
tert-butyl-[(3R,4S)-5-iodo-4-methylpent-1-en-3-yl]oxy-dimethylsilane
CID 24884675
Tert-butyl-(4-iodo-2-methylidenebutoxy)-dimethylsilane
CID 57326522
Tert-butyl-(1-iodohepta-1,6-dien-3-yloxy)-dimethylsilane
CID 91559483
triethyl-[(E)-3-iodo-2-methylprop-2-enoxy]silane
CID 101471385
tert-butyl-[(1Z,3S)-1-iodohepta-1,6-dien-3-yl]oxy-dimethylsilane
CID 135074383
tert-butyl-[(1Z,3R)-1-iodohepta-1,6-dien-3-yl]oxy-dimethylsilane
CID 135076255

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-4-iodo-3-methylbut-3-en-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-4-iodo-3-methylbut-3-en-2-yl]oxy-dimethylsilane (CID 134886912) is tert-butyl-[(E)-4-iodo-3-methylbut-3-en-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-4-iodo-3-methylbut-3-en-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-4-iodo-3-methylbut-3-en-2-yl]oxy-dimethylsilane is C/C(=C\I)C(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E)-4-iodo-3-methylbut-3-en-2-yl]oxy-dimethylsilane?
The InChIKey is YSAHRWMHUSJAJY-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H23IOSi/c1-9(8-12)10(2)13-14(6,7)11(3,4)5/h8,10H,1-7H3/b9-8+.
What are the key properties of tert-butyl-[(E)-4-iodo-3-methylbut-3-en-2-yl]oxy-dimethylsilane?
tert-butyl-[(E)-4-iodo-3-methylbut-3-en-2-yl]oxy-dimethylsilane has a molecular weight of 326.29 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-4-iodo-3-methylbut-3-en-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 134886912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).