tert-butyl-[(2E,4Z,6E)-7-iodo-4,6-dimethylhepta-2,4,6-trienoxy]-dimethylsilane

C15H27IOSi — CID 11625060

IUPACtert-butyl-[(2E,4Z,6E)-7-iodo-4,6-dimethylhepta-2,4,6-trienoxy]-dimethylsilane
SMILESCC(=C/C(C)=C/I)/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H27IOSi/c1-13(11-14(2)12-16)9-8-10-17-18(6,7)15(3,4)5/h8-9,11-12H,10H2,1-7H3/b9-8+,13-11-,14-12+
InChIKeyIFGOKLMEEZOLMR-GNWKEBLTSA-N
MW378.37 g/mol
LogP5.85
Rot. Bonds5

About tert-butyl-[(2E,4Z,6E)-7-iodo-4,6-dimethylhepta-2,4,6-trienoxy]-dimethylsilane

tert-butyl-[(2E,4Z,6E)-7-iodo-4,6-dimethylhepta-2,4,6-trienoxy]-dimethylsilane (PubChem CID 11625060) has the molecular formula C15H27IOSi and a molecular weight of 378.37 g/mol. Its IUPAC name is tert-butyl-[(2E,4Z,6E)-7-iodo-4,6-dimethylhepta-2,4,6-trienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2E,4Z,6E)-7-iodo-4,6-dimethylhepta-2,4,6-trienoxy]-dimethylsilane
PubChem CID11625060
Molecular FormulaC15H27IOSi
Molecular Weight378.37 g/mol
Exact Mass378.09
IUPAC Nametert-butyl-[(2E,4Z,6E)-7-iodo-4,6-dimethylhepta-2,4,6-trienoxy]-dimethylsilane
SMILESCC(=C/C(C)=C/I)/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H27IOSi/c1-13(11-14(2)12-16)9-8-10-17-18(6,7)15(3,4)5/h8-9,11-12H,10H2,1-7H3/b9-8+,13-11-,14-12+
InChIKeyIFGOKLMEEZOLMR-GNWKEBLTSA-N
XLogP5.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.37
LogP ≤ 55.85
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2E,4Z,6E)-7-iodo-4,6-dimethylhepta-2,4,6-trienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2E,4Z,6E)-7-iodo-4,6-dimethylhepta-2,4,6-trienoxy]-dimethylsilane (CID 11625060) is tert-butyl-[(2E,4Z,6E)-7-iodo-4,6-dimethylhepta-2,4,6-trienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2E,4Z,6E)-7-iodo-4,6-dimethylhepta-2,4,6-trienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2E,4Z,6E)-7-iodo-4,6-dimethylhepta-2,4,6-trienoxy]-dimethylsilane is CC(=C/C(C)=C/I)/C=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2E,4Z,6E)-7-iodo-4,6-dimethylhepta-2,4,6-trienoxy]-dimethylsilane?
The InChIKey is IFGOKLMEEZOLMR-GNWKEBLTSA-N. The full InChI is InChI=1S/C15H27IOSi/c1-13(11-14(2)12-16)9-8-10-17-18(6,7)15(3,4)5/h8-9,11-12H,10H2,1-7H3/b9-8+,13-11-,14-12+.
What are the key properties of tert-butyl-[(2E,4Z,6E)-7-iodo-4,6-dimethylhepta-2,4,6-trienoxy]-dimethylsilane?
tert-butyl-[(2E,4Z,6E)-7-iodo-4,6-dimethylhepta-2,4,6-trienoxy]-dimethylsilane has a molecular weight of 378.37 g/mol, XLogP of 5.85, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2E,4Z,6E)-7-iodo-4,6-dimethylhepta-2,4,6-trienoxy]-dimethylsilane is sourced from PubChem (CID 11625060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).