tert-butyl-[(2E)-3,7-dimethyldodeca-2,6-dien-10-ynoxy]-dimethylsilane

C20H36OSi — CID 134866068

IUPACtert-butyl-[(2E)-3,7-dimethyldodeca-2,6-dien-10-ynoxy]-dimethylsilane
SMILESCC#CCCC(C)=CCC/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36OSi/c1-9-10-11-13-18(2)14-12-15-19(3)16-17-21-22(7,8)20(4,5)6/h14,16H,11-13,15,17H2,1-8H3/b18-14?,19-16+
InChIKeyWQLUFNBPIJVTIE-MSZRRQDCSA-N
MW320.59 g/mol
LogP6.48
Rot. Bonds8

About tert-butyl-[(2E)-3,7-dimethyldodeca-2,6-dien-10-ynoxy]-dimethylsilane

tert-butyl-[(2E)-3,7-dimethyldodeca-2,6-dien-10-ynoxy]-dimethylsilane (PubChem CID 134866068) has the molecular formula C20H36OSi and a molecular weight of 320.59 g/mol. Its IUPAC name is tert-butyl-[(2E)-3,7-dimethyldodeca-2,6-dien-10-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2E)-3,7-dimethyldodeca-2,6-dien-10-ynoxy]-dimethylsilane
PubChem CID134866068
Molecular FormulaC20H36OSi
Molecular Weight320.59 g/mol
Exact Mass320.25
IUPAC Nametert-butyl-[(2E)-3,7-dimethyldodeca-2,6-dien-10-ynoxy]-dimethylsilane
SMILESCC#CCCC(C)=CCC/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36OSi/c1-9-10-11-13-18(2)14-12-15-19(3)16-17-21-22(7,8)20(4,5)6/h14,16H,11-13,15,17H2,1-8H3/b18-14?,19-16+
InChIKeyWQLUFNBPIJVTIE-MSZRRQDCSA-N
XLogP6.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.59
LogP ≤ 56.48
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Geraniol, tert-butyldimethylsilyl ether
CID 6536899
Geraniol, TMS derivative
CID 10998725
Nerol, trimethylsilyl ether
CID 11817006
Farnesol, tert-butyldimethylsilyl ether
CID 10337114
Silane, dimethyldi(trans-3,7-dimethyl-2,6-octadien-1-yloxy)-
CID 19045075
tert-butyl-dimethyl-[(2E,6E)-6-methylocta-2,6-dienoxy]silane
CID 5387051
tert-butyl-[(2E,6E)-11,11-difluoro-3,7-dimethylundeca-2,6,10-trienoxy]-dimethylsilane
CID 158830969
trans, trans-Farnesol, trimethylsilyl ether
CID 5365996
Nerol, tert-butyldimethylsilyl ether
CID 5366885
Geranylgeraniol, TBDMS derivative
CID 11112251
Dimethyl(bis([(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy))silane
CID 91694866
bis([(2Z)-3,7-Dimethylocta-2,6-dien-1-yl]oxy)(dimethyl)silane
CID 91697237

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2E)-3,7-dimethyldodeca-2,6-dien-10-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2E)-3,7-dimethyldodeca-2,6-dien-10-ynoxy]-dimethylsilane (CID 134866068) is tert-butyl-[(2E)-3,7-dimethyldodeca-2,6-dien-10-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2E)-3,7-dimethyldodeca-2,6-dien-10-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2E)-3,7-dimethyldodeca-2,6-dien-10-ynoxy]-dimethylsilane is CC#CCCC(C)=CCC/C(C)=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2E)-3,7-dimethyldodeca-2,6-dien-10-ynoxy]-dimethylsilane?
The InChIKey is WQLUFNBPIJVTIE-MSZRRQDCSA-N. The full InChI is InChI=1S/C20H36OSi/c1-9-10-11-13-18(2)14-12-15-19(3)16-17-21-22(7,8)20(4,5)6/h14,16H,11-13,15,17H2,1-8H3/b18-14?,19-16+.
What are the key properties of tert-butyl-[(2E)-3,7-dimethyldodeca-2,6-dien-10-ynoxy]-dimethylsilane?
tert-butyl-[(2E)-3,7-dimethyldodeca-2,6-dien-10-ynoxy]-dimethylsilane has a molecular weight of 320.59 g/mol, XLogP of 6.48, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2E)-3,7-dimethyldodeca-2,6-dien-10-ynoxy]-dimethylsilane is sourced from PubChem (CID 134866068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).