tert-butyl-[(5E,9Z)-10-iododeca-5,9-dienoxy]-dimethylsilane

C16H31IOSi — CID 100936880

IUPACtert-butyl-[(5E,9Z)-10-iododeca-5,9-dienoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCC/C=C/CC/C=C\I
InChIInChI=1S/C16H31IOSi/c1-16(2,3)19(4,5)18-15-13-11-9-7-6-8-10-12-14-17/h6-7,12,14H,8-11,13,15H2,1-5H3/b7-6+,14-12-
InChIKeyHRQWZDMLDVXAPL-NLHMQVGESA-N
MW394.41 g/mol
LogP6.46
Rot. Bonds9

About tert-butyl-[(5E,9Z)-10-iododeca-5,9-dienoxy]-dimethylsilane

tert-butyl-[(5E,9Z)-10-iododeca-5,9-dienoxy]-dimethylsilane (PubChem CID 100936880) has the molecular formula C16H31IOSi and a molecular weight of 394.41 g/mol. Its IUPAC name is tert-butyl-[(5E,9Z)-10-iododeca-5,9-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(5E,9Z)-10-iododeca-5,9-dienoxy]-dimethylsilane
PubChem CID100936880
Molecular FormulaC16H31IOSi
Molecular Weight394.41 g/mol
Exact Mass394.12
IUPAC Nametert-butyl-[(5E,9Z)-10-iododeca-5,9-dienoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCC/C=C/CC/C=C\I
InChIInChI=1S/C16H31IOSi/c1-16(2,3)19(4,5)18-15-13-11-9-7-6-8-10-12-14-17/h6-7,12,14H,8-11,13,15H2,1-5H3/b7-6+,14-12-
InChIKeyHRQWZDMLDVXAPL-NLHMQVGESA-N
XLogP6.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.41
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[(5E,9Z)-10-iododeca-5,9-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(5E,9Z)-10-iododeca-5,9-dienoxy]-dimethylsilane (CID 100936880) is tert-butyl-[(5E,9Z)-10-iododeca-5,9-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(5E,9Z)-10-iododeca-5,9-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(5E,9Z)-10-iododeca-5,9-dienoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCCC/C=C/CC/C=C\I.
What is the InChIKey of tert-butyl-[(5E,9Z)-10-iododeca-5,9-dienoxy]-dimethylsilane?
The InChIKey is HRQWZDMLDVXAPL-NLHMQVGESA-N. The full InChI is InChI=1S/C16H31IOSi/c1-16(2,3)19(4,5)18-15-13-11-9-7-6-8-10-12-14-17/h6-7,12,14H,8-11,13,15H2,1-5H3/b7-6+,14-12-.
What are the key properties of tert-butyl-[(5E,9Z)-10-iododeca-5,9-dienoxy]-dimethylsilane?
tert-butyl-[(5E,9Z)-10-iododeca-5,9-dienoxy]-dimethylsilane has a molecular weight of 394.41 g/mol, XLogP of 6.46, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(5E,9Z)-10-iododeca-5,9-dienoxy]-dimethylsilane is sourced from PubChem (CID 100936880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).