tert-butyl-[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane

C16H32OSi — CID 6536899

IUPACtert-butyl-[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane
SMILESCC(C)=CCC/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32OSi/c1-14(2)10-9-11-15(3)12-13-17-18(7,8)16(4,5)6/h10,12H,9,11,13H2,1-8H3/b15-12+
InChIKeyYBZVVVHOGQSWSO-NTCAYCPXSA-N
MW268.52 g/mol
LogP5.70
Rot. Bonds6

About tert-butyl-[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane

tert-butyl-[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane (PubChem CID 6536899) has the molecular formula C16H32OSi and a molecular weight of 268.52 g/mol. Its IUPAC name is tert-butyl-[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane
PubChem CID6536899
Molecular FormulaC16H32OSi
Molecular Weight268.52 g/mol
Exact Mass268.22
IUPAC Nametert-butyl-[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane
SMILESCC(C)=CCC/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32OSi/c1-14(2)10-9-11-15(3)12-13-17-18(7,8)16(4,5)6/h10,12H,9,11,13H2,1-8H3/b15-12+
InChIKeyYBZVVVHOGQSWSO-NTCAYCPXSA-N
XLogP5.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.52
LogP ≤ 55.70
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)-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane (CID 6536899) is tert-butyl-[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane is CC(C)=CCC/C(C)=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane?
The InChIKey is YBZVVVHOGQSWSO-NTCAYCPXSA-N. The full InChI is InChI=1S/C16H32OSi/c1-14(2)10-9-11-15(3)12-13-17-18(7,8)16(4,5)6/h10,12H,9,11,13H2,1-8H3/b15-12+.
What are the key properties of tert-butyl-[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane?
tert-butyl-[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane has a molecular weight of 268.52 g/mol, XLogP of 5.70, 6 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-dimethylocta-2,6-dienoxy]-dimethylsilane is sourced from PubChem (CID 6536899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).