tert-butyl-(5-ethenoxy-6-methylhept-6-enoxy)-dimethylsilane

C16H32O2Si — CID 10968061

IUPACtert-butyl-(5-ethenoxy-6-methylhept-6-enoxy)-dimethylsilane
SMILESC=COC(CCCCO[Si](C)(C)C(C)(C)C)C(=C)C
InChIInChI=1S/C16H32O2Si/c1-9-17-15(14(2)3)12-10-11-13-18-19(7,8)16(4,5)6/h9,15H,1-2,10-13H2,3-8H3
InChIKeyACARGSPXMWZNET-UHFFFAOYSA-N
MW284.52 g/mol
LogP5.28
Rot. Bonds9

About tert-butyl-(5-ethenoxy-6-methylhept-6-enoxy)-dimethylsilane

tert-butyl-(5-ethenoxy-6-methylhept-6-enoxy)-dimethylsilane (PubChem CID 10968061) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is tert-butyl-(5-ethenoxy-6-methylhept-6-enoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(5-ethenoxy-6-methylhept-6-enoxy)-dimethylsilane
PubChem CID10968061
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Nametert-butyl-(5-ethenoxy-6-methylhept-6-enoxy)-dimethylsilane
SMILESC=COC(CCCCO[Si](C)(C)C(C)(C)C)C(=C)C
InChIInChI=1S/C16H32O2Si/c1-9-17-15(14(2)3)12-10-11-13-18-19(7,8)16(4,5)6/h9,15H,1-2,10-13H2,3-8H3
InChIKeyACARGSPXMWZNET-UHFFFAOYSA-N
XLogP5.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.52
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(5R)-5-[(3R)-hexa-1,5-dien-3-yl]oxyhept-6-enoxy]-tri(propan-2-yl)silane
CID 11710370

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(5-ethenoxy-6-methylhept-6-enoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(5-ethenoxy-6-methylhept-6-enoxy)-dimethylsilane (CID 10968061) is tert-butyl-(5-ethenoxy-6-methylhept-6-enoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(5-ethenoxy-6-methylhept-6-enoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(5-ethenoxy-6-methylhept-6-enoxy)-dimethylsilane is C=COC(CCCCO[Si](C)(C)C(C)(C)C)C(=C)C.
What is the InChIKey of tert-butyl-(5-ethenoxy-6-methylhept-6-enoxy)-dimethylsilane?
The InChIKey is ACARGSPXMWZNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-9-17-15(14(2)3)12-10-11-13-18-19(7,8)16(4,5)6/h9,15H,1-2,10-13H2,3-8H3.
What are the key properties of tert-butyl-(5-ethenoxy-6-methylhept-6-enoxy)-dimethylsilane?
tert-butyl-(5-ethenoxy-6-methylhept-6-enoxy)-dimethylsilane has a molecular weight of 284.52 g/mol, XLogP of 5.28, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(5-ethenoxy-6-methylhept-6-enoxy)-dimethylsilane is sourced from PubChem (CID 10968061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).