tert-butyl-(3,7-dimethylocta-1,6-dien-3-yloxy)-dimethylsilane

C16H32OSi — CID 554425

IUPACtert-butyl-(3,7-dimethylocta-1,6-dien-3-yloxy)-dimethylsilane
SMILESC=CC(C)(CCC=C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32OSi/c1-10-16(7,13-11-12-14(2)3)17-18(8,9)15(4,5)6/h10,12H,1,11,13H2,2-9H3
InChIKeyPPKDMKJOKRPBAR-UHFFFAOYSA-N
MW268.52 g/mol
LogP5.70
Rot. Bonds6

About tert-butyl-(3,7-dimethylocta-1,6-dien-3-yloxy)-dimethylsilane

tert-butyl-(3,7-dimethylocta-1,6-dien-3-yloxy)-dimethylsilane (PubChem CID 554425) has the molecular formula C16H32OSi and a molecular weight of 268.52 g/mol. Its IUPAC name is tert-butyl-(3,7-dimethylocta-1,6-dien-3-yloxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(3,7-dimethylocta-1,6-dien-3-yloxy)-dimethylsilane
PubChem CID554425
Molecular FormulaC16H32OSi
Molecular Weight268.52 g/mol
Exact Mass268.22
IUPAC Nametert-butyl-(3,7-dimethylocta-1,6-dien-3-yloxy)-dimethylsilane
SMILESC=CC(C)(CCC=C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32OSi/c1-10-16(7,13-11-12-14(2)3)17-18(8,9)15(4,5)6/h10,12H,1,11,13H2,2-9H3
InChIKeyPPKDMKJOKRPBAR-UHFFFAOYSA-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-(3,7-dimethylocta-1,6-dien-3-yloxy)-dimethylsilane?
The IUPAC name of tert-butyl-(3,7-dimethylocta-1,6-dien-3-yloxy)-dimethylsilane (CID 554425) is tert-butyl-(3,7-dimethylocta-1,6-dien-3-yloxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(3,7-dimethylocta-1,6-dien-3-yloxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(3,7-dimethylocta-1,6-dien-3-yloxy)-dimethylsilane is C=CC(C)(CCC=C(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(3,7-dimethylocta-1,6-dien-3-yloxy)-dimethylsilane?
The InChIKey is PPKDMKJOKRPBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32OSi/c1-10-16(7,13-11-12-14(2)3)17-18(8,9)15(4,5)6/h10,12H,1,11,13H2,2-9H3.
What are the key properties of tert-butyl-(3,7-dimethylocta-1,6-dien-3-yloxy)-dimethylsilane?
tert-butyl-(3,7-dimethylocta-1,6-dien-3-yloxy)-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-(3,7-dimethylocta-1,6-dien-3-yloxy)-dimethylsilane is sourced from PubChem (CID 554425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).