tert-butyl-[(E)-6-iodohex-3-enoxy]-diphenylsilane

C22H29IOSi — CID 11016054

IUPACtert-butyl-[(E)-6-iodohex-3-enoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCC/C=C/CCI)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29IOSi/c1-22(2,3)25(20-14-8-6-9-15-20,21-16-10-7-11-17-21)24-19-13-5-4-12-18-23/h4-11,14-17H,12-13,18-19H2,1-3H3/b5-4+
InChIKeyYONVEJYCOPQQBM-SNAWJCMRSA-N
MW464.46 g/mol
LogP5.33
Rot. Bonds8

About tert-butyl-[(E)-6-iodohex-3-enoxy]-diphenylsilane

tert-butyl-[(E)-6-iodohex-3-enoxy]-diphenylsilane (PubChem CID 11016054) has the molecular formula C22H29IOSi and a molecular weight of 464.46 g/mol. Its IUPAC name is tert-butyl-[(E)-6-iodohex-3-enoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-6-iodohex-3-enoxy]-diphenylsilane
PubChem CID11016054
Molecular FormulaC22H29IOSi
Molecular Weight464.46 g/mol
Exact Mass464.10
IUPAC Nametert-butyl-[(E)-6-iodohex-3-enoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCC/C=C/CCI)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29IOSi/c1-22(2,3)25(20-14-8-6-9-15-20,21-16-10-7-11-17-21)24-19-13-5-4-12-18-23/h4-11,14-17H,12-13,18-19H2,1-3H3/b5-4+
InChIKeyYONVEJYCOPQQBM-SNAWJCMRSA-N
XLogP5.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.46
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
tert-butyl-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]-diphenylsilane
CID 68632670
tert-butyl-(10-iododecoxy)-diphenylsilane
CID 10994946
tert-butyl-(5-iodopentoxy)-diphenylsilane
CID 10003991
tert-butyl-(6-chlorohex-4-enoxy)-diphenylsilane
CID 71404440
tert-butyl-[(E)-dec-5-enoxy]-diphenylsilane
CID 11188599
tert-butyl-[(E)-heptadec-4-enoxy]-diphenylsilane
CID 11123858
(E)-6-[tert-butyl(diphenyl)silyl]oxyhex-4-enal
CID 11089492
(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol
CID 90098390
tert-butyl-heptatriaconta-23,26-dienoxy-diphenylsilane
CID 69009078
3-[3-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]propoxy]propanal
CID 171538124
tert-butyl-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyldisulfanyl]ethoxy]-diphenylsilane
CID 54264356

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-6-iodohex-3-enoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(E)-6-iodohex-3-enoxy]-diphenylsilane (CID 11016054) is tert-butyl-[(E)-6-iodohex-3-enoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(E)-6-iodohex-3-enoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(E)-6-iodohex-3-enoxy]-diphenylsilane is CC(C)(C)[Si](OCC/C=C/CCI)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[(E)-6-iodohex-3-enoxy]-diphenylsilane?
The InChIKey is YONVEJYCOPQQBM-SNAWJCMRSA-N. The full InChI is InChI=1S/C22H29IOSi/c1-22(2,3)25(20-14-8-6-9-15-20,21-16-10-7-11-17-21)24-19-13-5-4-12-18-23/h4-11,14-17H,12-13,18-19H2,1-3H3/b5-4+.
What are the key properties of tert-butyl-[(E)-6-iodohex-3-enoxy]-diphenylsilane?
tert-butyl-[(E)-6-iodohex-3-enoxy]-diphenylsilane has a molecular weight of 464.46 g/mol, XLogP of 5.33, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-6-iodohex-3-enoxy]-diphenylsilane is sourced from PubChem (CID 11016054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).