tert-butyl-[(E,4E)-4-(iodomethylidene)hex-2-enoxy]-dimethylsilane

C13H25IOSi — CID 71530233

IUPACtert-butyl-[(E,4E)-4-(iodomethylidene)hex-2-enoxy]-dimethylsilane
SMILESCCC(/C=C/CO[Si](C)(C)C(C)(C)C)=C\I
InChIInChI=1S/C13H25IOSi/c1-7-12(11-14)9-8-10-15-16(5,6)13(2,3)4/h8-9,11H,7,10H2,1-6H3/b9-8+,12-11+
InChIKeyALEOZUQBNBMVNM-MVKOLZDDSA-N
MW352.33 g/mol
LogP5.29
Rot. Bonds5

About tert-butyl-[(E,4E)-4-(iodomethylidene)hex-2-enoxy]-dimethylsilane

tert-butyl-[(E,4E)-4-(iodomethylidene)hex-2-enoxy]-dimethylsilane (PubChem CID 71530233) has the molecular formula C13H25IOSi and a molecular weight of 352.33 g/mol. Its IUPAC name is tert-butyl-[(E,4E)-4-(iodomethylidene)hex-2-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,4E)-4-(iodomethylidene)hex-2-enoxy]-dimethylsilane
PubChem CID71530233
Molecular FormulaC13H25IOSi
Molecular Weight352.33 g/mol
Exact Mass352.07
IUPAC Nametert-butyl-[(E,4E)-4-(iodomethylidene)hex-2-enoxy]-dimethylsilane
SMILESCCC(/C=C/CO[Si](C)(C)C(C)(C)C)=C\I
InChIInChI=1S/C13H25IOSi/c1-7-12(11-14)9-8-10-15-16(5,6)13(2,3)4/h8-9,11H,7,10H2,1-6H3/b9-8+,12-11+
InChIKeyALEOZUQBNBMVNM-MVKOLZDDSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.33
LogP ≤ 55.29
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
CID 85272131
(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
CID 87108753
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoxy]-dimethylsilane
CID 123215238
tert-butyl-(5,5-dimethylhex-2-enoxy)-dimethylsilane
CID 76815810
tert-butyl-[(Z)-5,5-dimethylhex-2-enoxy]-dimethylsilane
CID 58534802
(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal
CID 19914775
tert-butyl [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] carbonate
CID 59981762
(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-en-3-one
CID 135080098
(E)-4-[tert-butyl(dimethyl)silyl]oxy-N-methylbut-2-en-1-amine
CID 125478313
[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-3-en-2-yl] acetate
CID 11054827
N-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoyl]benzamide
CID 11324648
tert-butyl-dimethyl-[(Z)-pent-2-en-4-ynoxy]silane
CID 135083715

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,4E)-4-(iodomethylidene)hex-2-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E,4E)-4-(iodomethylidene)hex-2-enoxy]-dimethylsilane (CID 71530233) is tert-butyl-[(E,4E)-4-(iodomethylidene)hex-2-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,4E)-4-(iodomethylidene)hex-2-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,4E)-4-(iodomethylidene)hex-2-enoxy]-dimethylsilane is CCC(/C=C/CO[Si](C)(C)C(C)(C)C)=C\I.
What is the InChIKey of tert-butyl-[(E,4E)-4-(iodomethylidene)hex-2-enoxy]-dimethylsilane?
The InChIKey is ALEOZUQBNBMVNM-MVKOLZDDSA-N. The full InChI is InChI=1S/C13H25IOSi/c1-7-12(11-14)9-8-10-15-16(5,6)13(2,3)4/h8-9,11H,7,10H2,1-6H3/b9-8+,12-11+.
What are the key properties of tert-butyl-[(E,4E)-4-(iodomethylidene)hex-2-enoxy]-dimethylsilane?
tert-butyl-[(E,4E)-4-(iodomethylidene)hex-2-enoxy]-dimethylsilane has a molecular weight of 352.33 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,4E)-4-(iodomethylidene)hex-2-enoxy]-dimethylsilane is sourced from PubChem (CID 71530233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).