tert-butyl-[(2E,6E)-7-iodo-2,6-dimethylhepta-2,6-dienoxy]-dimethylsilane

C15H29IOSi — CID 10937764

IUPACtert-butyl-[(2E,6E)-7-iodo-2,6-dimethylhepta-2,6-dienoxy]-dimethylsilane
SMILESC/C(=C\I)CC/C=C(\C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H29IOSi/c1-13(11-16)9-8-10-14(2)12-17-18(6,7)15(3,4)5/h10-11H,8-9,12H2,1-7H3/b13-11+,14-10+
InChIKeyWUFBKFHPMSVDPW-CKNIOMRDSA-N
MW380.39 g/mol
LogP6.07
Rot. Bonds6

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

tert-butyl-[(2E,6E)-7-iodo-2,6-dimethylhepta-2,6-dienoxy]-dimethylsilane (PubChem CID 10937764) has the molecular formula C15H29IOSi and a molecular weight of 380.39 g/mol. Its IUPAC name is tert-butyl-[(2E,6E)-7-iodo-2,6-dimethylhepta-2,6-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2E,6E)-7-iodo-2,6-dimethylhepta-2,6-dienoxy]-dimethylsilane
PubChem CID10937764
Molecular FormulaC15H29IOSi
Molecular Weight380.39 g/mol
Exact Mass380.10
IUPAC Nametert-butyl-[(2E,6E)-7-iodo-2,6-dimethylhepta-2,6-dienoxy]-dimethylsilane
SMILESC/C(=C\I)CC/C=C(\C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H29IOSi/c1-13(11-16)9-8-10-14(2)12-17-18(6,7)15(3,4)5/h10-11H,8-9,12H2,1-7H3/b13-11+,14-10+
InChIKeyWUFBKFHPMSVDPW-CKNIOMRDSA-N
XLogP6.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.39
LogP ≤ 56.07
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2E,6E)-7-iodo-2,6-dimethylhepta-2,6-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2E,6E)-7-iodo-2,6-dimethylhepta-2,6-dienoxy]-dimethylsilane (CID 10937764) is tert-butyl-[(2E,6E)-7-iodo-2,6-dimethylhepta-2,6-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2E,6E)-7-iodo-2,6-dimethylhepta-2,6-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2E,6E)-7-iodo-2,6-dimethylhepta-2,6-dienoxy]-dimethylsilane is C/C(=C\I)CC/C=C(\C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2E,6E)-7-iodo-2,6-dimethylhepta-2,6-dienoxy]-dimethylsilane?
The InChIKey is WUFBKFHPMSVDPW-CKNIOMRDSA-N. The full InChI is InChI=1S/C15H29IOSi/c1-13(11-16)9-8-10-14(2)12-17-18(6,7)15(3,4)5/h10-11H,8-9,12H2,1-7H3/b13-11+,14-10+.
What are the key properties of tert-butyl-[(2E,6E)-7-iodo-2,6-dimethylhepta-2,6-dienoxy]-dimethylsilane?
tert-butyl-[(2E,6E)-7-iodo-2,6-dimethylhepta-2,6-dienoxy]-dimethylsilane has a molecular weight of 380.39 g/mol, XLogP of 6.07, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2E,6E)-7-iodo-2,6-dimethylhepta-2,6-dienoxy]-dimethylsilane is sourced from PubChem (CID 10937764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).