tert-butyl-[(5E)-9-ethenoxy-6,10-dimethylundeca-5,10-dienoxy]-dimethylsilane

C21H40O2Si — CID 11068169

IUPACtert-butyl-[(5E)-9-ethenoxy-6,10-dimethylundeca-5,10-dienoxy]-dimethylsilane
SMILESC=COC(CC/C(C)=C/CCCCO[Si](C)(C)C(C)(C)C)C(=C)C
InChIInChI=1S/C21H40O2Si/c1-10-22-20(18(2)3)16-15-19(4)14-12-11-13-17-23-24(8,9)21(5,6)7/h10,14,20H,1-2,11-13,15-17H2,3-9H3/b19-14+
InChIKeySKQITTJFBTWBLH-XMHGGMMESA-N
MW352.64 g/mol
LogP7.01
Rot. Bonds12

About tert-butyl-[(5E)-9-ethenoxy-6,10-dimethylundeca-5,10-dienoxy]-dimethylsilane

tert-butyl-[(5E)-9-ethenoxy-6,10-dimethylundeca-5,10-dienoxy]-dimethylsilane (PubChem CID 11068169) has the molecular formula C21H40O2Si and a molecular weight of 352.64 g/mol. Its IUPAC name is tert-butyl-[(5E)-9-ethenoxy-6,10-dimethylundeca-5,10-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(5E)-9-ethenoxy-6,10-dimethylundeca-5,10-dienoxy]-dimethylsilane
PubChem CID11068169
Molecular FormulaC21H40O2Si
Molecular Weight352.64 g/mol
Exact Mass352.28
IUPAC Nametert-butyl-[(5E)-9-ethenoxy-6,10-dimethylundeca-5,10-dienoxy]-dimethylsilane
SMILESC=COC(CC/C(C)=C/CCCCO[Si](C)(C)C(C)(C)C)C(=C)C
InChIInChI=1S/C21H40O2Si/c1-10-22-20(18(2)3)16-15-19(4)14-12-11-13-17-23-24(8,9)21(5,6)7/h10,14,20H,1-2,11-13,15-17H2,3-9H3/b19-14+
InChIKeySKQITTJFBTWBLH-XMHGGMMESA-N
XLogP7.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.64
LogP ≤ 57.01
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(5E)-9-ethenoxy-6,10-dimethylundeca-5,10-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(5E)-9-ethenoxy-6,10-dimethylundeca-5,10-dienoxy]-dimethylsilane (CID 11068169) is tert-butyl-[(5E)-9-ethenoxy-6,10-dimethylundeca-5,10-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(5E)-9-ethenoxy-6,10-dimethylundeca-5,10-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(5E)-9-ethenoxy-6,10-dimethylundeca-5,10-dienoxy]-dimethylsilane is C=COC(CC/C(C)=C/CCCCO[Si](C)(C)C(C)(C)C)C(=C)C.
What is the InChIKey of tert-butyl-[(5E)-9-ethenoxy-6,10-dimethylundeca-5,10-dienoxy]-dimethylsilane?
The InChIKey is SKQITTJFBTWBLH-XMHGGMMESA-N. The full InChI is InChI=1S/C21H40O2Si/c1-10-22-20(18(2)3)16-15-19(4)14-12-11-13-17-23-24(8,9)21(5,6)7/h10,14,20H,1-2,11-13,15-17H2,3-9H3/b19-14+.
What are the key properties of tert-butyl-[(5E)-9-ethenoxy-6,10-dimethylundeca-5,10-dienoxy]-dimethylsilane?
tert-butyl-[(5E)-9-ethenoxy-6,10-dimethylundeca-5,10-dienoxy]-dimethylsilane has a molecular weight of 352.64 g/mol, XLogP of 7.01, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(5E)-9-ethenoxy-6,10-dimethylundeca-5,10-dienoxy]-dimethylsilane is sourced from PubChem (CID 11068169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).