tert-butyl-[(2E,6E)-11,11-difluoro-3,7-dimethylundeca-2,6,10-trienoxy]-dimethylsilane

C19H34F2OSi — CID 158830969

IUPACtert-butyl-[(2E,6E)-11,11-difluoro-3,7-dimethylundeca-2,6,10-trienoxy]-dimethylsilane
SMILESC/C(=C\CC/C(C)=C/CO[Si](C)(C)C(C)(C)C)CCC=C(F)F
InChIInChI=1S/C19H34F2OSi/c1-16(12-9-13-18(20)21)10-8-11-17(2)14-15-22-23(6,7)19(3,4)5/h10,13-14H,8-9,11-12,15H2,1-7H3/b16-10+,17-14+
InChIKeyJNJAZNCNVSGMBF-RTIZFMKRSA-N
MW344.56 g/mol
LogP7.24
Rot. Bonds9

About tert-butyl-[(2E,6E)-11,11-difluoro-3,7-dimethylundeca-2,6,10-trienoxy]-dimethylsilane

tert-butyl-[(2E,6E)-11,11-difluoro-3,7-dimethylundeca-2,6,10-trienoxy]-dimethylsilane (PubChem CID 158830969) has the molecular formula C19H34F2OSi and a molecular weight of 344.56 g/mol. Its IUPAC name is tert-butyl-[(2E,6E)-11,11-difluoro-3,7-dimethylundeca-2,6,10-trienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2E,6E)-11,11-difluoro-3,7-dimethylundeca-2,6,10-trienoxy]-dimethylsilane
PubChem CID158830969
Molecular FormulaC19H34F2OSi
Molecular Weight344.56 g/mol
Exact Mass344.23
IUPAC Nametert-butyl-[(2E,6E)-11,11-difluoro-3,7-dimethylundeca-2,6,10-trienoxy]-dimethylsilane
SMILESC/C(=C\CC/C(C)=C/CO[Si](C)(C)C(C)(C)C)CCC=C(F)F
InChIInChI=1S/C19H34F2OSi/c1-16(12-9-13-18(20)21)10-8-11-17(2)14-15-22-23(6,7)19(3,4)5/h10,13-14H,8-9,11-12,15H2,1-7H3/b16-10+,17-14+
InChIKeyJNJAZNCNVSGMBF-RTIZFMKRSA-N
XLogP7.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.56
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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)-11,11-difluoro-3,7-dimethylundeca-2,6,10-trienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2E,6E)-11,11-difluoro-3,7-dimethylundeca-2,6,10-trienoxy]-dimethylsilane (CID 158830969) is tert-butyl-[(2E,6E)-11,11-difluoro-3,7-dimethylundeca-2,6,10-trienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2E,6E)-11,11-difluoro-3,7-dimethylundeca-2,6,10-trienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2E,6E)-11,11-difluoro-3,7-dimethylundeca-2,6,10-trienoxy]-dimethylsilane is C/C(=C\CC/C(C)=C/CO[Si](C)(C)C(C)(C)C)CCC=C(F)F.
What is the InChIKey of tert-butyl-[(2E,6E)-11,11-difluoro-3,7-dimethylundeca-2,6,10-trienoxy]-dimethylsilane?
The InChIKey is JNJAZNCNVSGMBF-RTIZFMKRSA-N. The full InChI is InChI=1S/C19H34F2OSi/c1-16(12-9-13-18(20)21)10-8-11-17(2)14-15-22-23(6,7)19(3,4)5/h10,13-14H,8-9,11-12,15H2,1-7H3/b16-10+,17-14+.
What are the key properties of tert-butyl-[(2E,6E)-11,11-difluoro-3,7-dimethylundeca-2,6,10-trienoxy]-dimethylsilane?
tert-butyl-[(2E,6E)-11,11-difluoro-3,7-dimethylundeca-2,6,10-trienoxy]-dimethylsilane has a molecular weight of 344.56 g/mol, XLogP of 7.24, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2E,6E)-11,11-difluoro-3,7-dimethylundeca-2,6,10-trienoxy]-dimethylsilane is sourced from PubChem (CID 158830969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).