tert-butyl-[(E)-4-iodo-3-methylbut-3-enoxy]-dimethylsilane

C11H23IOSi — CID 6443108

IUPACtert-butyl-[(E)-4-iodo-3-methylbut-3-enoxy]-dimethylsilane
SMILESC/C(=C\I)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H23IOSi/c1-10(9-12)7-8-13-14(5,6)11(2,3)4/h9H,7-8H2,1-6H3/b10-9+
InChIKeyLDCNBNYWPAVNNU-MDZDMXLPSA-N
MW326.29 g/mol
LogP4.74
Rot. Bonds4

About tert-butyl-[(E)-4-iodo-3-methylbut-3-enoxy]-dimethylsilane

tert-butyl-[(E)-4-iodo-3-methylbut-3-enoxy]-dimethylsilane (PubChem CID 6443108) 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-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-4-iodo-3-methylbut-3-enoxy]-dimethylsilane
PubChem CID6443108
Molecular FormulaC11H23IOSi
Molecular Weight326.29 g/mol
Exact Mass326.06
IUPAC Nametert-butyl-[(E)-4-iodo-3-methylbut-3-enoxy]-dimethylsilane
SMILESC/C(=C\I)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H23IOSi/c1-10(9-12)7-8-13-14(5,6)11(2,3)4/h9H,7-8H2,1-6H3/b10-9+
InChIKeyLDCNBNYWPAVNNU-MDZDMXLPSA-N
XLogP4.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-4-iodo-3-methylbut-3-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-4-iodo-3-methylbut-3-enoxy]-dimethylsilane (CID 6443108) is tert-butyl-[(E)-4-iodo-3-methylbut-3-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-4-iodo-3-methylbut-3-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-4-iodo-3-methylbut-3-enoxy]-dimethylsilane is C/C(=C\I)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E)-4-iodo-3-methylbut-3-enoxy]-dimethylsilane?
The InChIKey is LDCNBNYWPAVNNU-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H23IOSi/c1-10(9-12)7-8-13-14(5,6)11(2,3)4/h9H,7-8H2,1-6H3/b10-9+.
What are the key properties of tert-butyl-[(E)-4-iodo-3-methylbut-3-enoxy]-dimethylsilane?
tert-butyl-[(E)-4-iodo-3-methylbut-3-enoxy]-dimethylsilane has a molecular weight of 326.29 g/mol, XLogP of 4.74, 4 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-enoxy]-dimethylsilane is sourced from PubChem (CID 6443108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).