tert-butyl-[(Z)-7-iodohept-5-enoxy]-dimethylsilane

C13H27IOSi — CID 11451064

IUPACtert-butyl-[(Z)-7-iodohept-5-enoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCC/C=C\CI
InChIInChI=1S/C13H27IOSi/c1-13(2,3)16(4,5)15-12-10-8-6-7-9-11-14/h7,9H,6,8,10-12H2,1-5H3/b9-7-
InChIKeyNVDBFMIVANVNLG-CLFYSBASSA-N
MW354.35 g/mol
LogP5.17
Rot. Bonds7

About tert-butyl-[(Z)-7-iodohept-5-enoxy]-dimethylsilane

tert-butyl-[(Z)-7-iodohept-5-enoxy]-dimethylsilane (PubChem CID 11451064) has the molecular formula C13H27IOSi and a molecular weight of 354.35 g/mol. Its IUPAC name is tert-butyl-[(Z)-7-iodohept-5-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z)-7-iodohept-5-enoxy]-dimethylsilane
PubChem CID11451064
Molecular FormulaC13H27IOSi
Molecular Weight354.35 g/mol
Exact Mass354.09
IUPAC Nametert-butyl-[(Z)-7-iodohept-5-enoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCC/C=C\CI
InChIInChI=1S/C13H27IOSi/c1-13(2,3)16(4,5)15-12-10-8-6-7-9-11-14/h7,9H,6,8,10-12H2,1-5H3/b9-7-
InChIKeyNVDBFMIVANVNLG-CLFYSBASSA-N
XLogP5.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.35
LogP ≤ 55.17
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z)-7-iodohept-5-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(Z)-7-iodohept-5-enoxy]-dimethylsilane (CID 11451064) is tert-butyl-[(Z)-7-iodohept-5-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z)-7-iodohept-5-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z)-7-iodohept-5-enoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCCC/C=C\CI.
What is the InChIKey of tert-butyl-[(Z)-7-iodohept-5-enoxy]-dimethylsilane?
The InChIKey is NVDBFMIVANVNLG-CLFYSBASSA-N. The full InChI is InChI=1S/C13H27IOSi/c1-13(2,3)16(4,5)15-12-10-8-6-7-9-11-14/h7,9H,6,8,10-12H2,1-5H3/b9-7-.
What are the key properties of tert-butyl-[(Z)-7-iodohept-5-enoxy]-dimethylsilane?
tert-butyl-[(Z)-7-iodohept-5-enoxy]-dimethylsilane has a molecular weight of 354.35 g/mol, XLogP of 5.17, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z)-7-iodohept-5-enoxy]-dimethylsilane is sourced from PubChem (CID 11451064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).