tert-butyl-[(2S,3E,5E)-2,4-dimethyldodeca-3,5-dienoxy]-dimethylsilane

C20H40OSi — CID 134982103

IUPACtert-butyl-[(2S,3E,5E)-2,4-dimethyldodeca-3,5-dienoxy]-dimethylsilane
SMILESCCCCCC/C=C/C(C)=C/[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40OSi/c1-9-10-11-12-13-14-15-18(2)16-19(3)17-21-22(7,8)20(4,5)6/h14-16,19H,9-13,17H2,1-8H3/b15-14+,18-16+/t19-/m0/s1
InChIKeyMAINBSPRZAUJCN-ZGJDQKGJSA-N
MW324.62 g/mol
LogP7.12
Rot. Bonds10

About tert-butyl-[(2S,3E,5E)-2,4-dimethyldodeca-3,5-dienoxy]-dimethylsilane

tert-butyl-[(2S,3E,5E)-2,4-dimethyldodeca-3,5-dienoxy]-dimethylsilane (PubChem CID 134982103) has the molecular formula C20H40OSi and a molecular weight of 324.62 g/mol. Its IUPAC name is tert-butyl-[(2S,3E,5E)-2,4-dimethyldodeca-3,5-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3E,5E)-2,4-dimethyldodeca-3,5-dienoxy]-dimethylsilane
PubChem CID134982103
Molecular FormulaC20H40OSi
Molecular Weight324.62 g/mol
Exact Mass324.28
IUPAC Nametert-butyl-[(2S,3E,5E)-2,4-dimethyldodeca-3,5-dienoxy]-dimethylsilane
SMILESCCCCCC/C=C/C(C)=C/[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40OSi/c1-9-10-11-12-13-14-15-18(2)16-19(3)17-21-22(7,8)20(4,5)6/h14-16,19H,9-13,17H2,1-8H3/b15-14+,18-16+/t19-/m0/s1
InChIKeyMAINBSPRZAUJCN-ZGJDQKGJSA-N
XLogP7.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.62
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,3E,5E)-2,4-dimethyldodeca-3,5-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,3E,5E)-2,4-dimethyldodeca-3,5-dienoxy]-dimethylsilane (CID 134982103) is tert-butyl-[(2S,3E,5E)-2,4-dimethyldodeca-3,5-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,3E,5E)-2,4-dimethyldodeca-3,5-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,3E,5E)-2,4-dimethyldodeca-3,5-dienoxy]-dimethylsilane is CCCCCC/C=C/C(C)=C/[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S,3E,5E)-2,4-dimethyldodeca-3,5-dienoxy]-dimethylsilane?
The InChIKey is MAINBSPRZAUJCN-ZGJDQKGJSA-N. The full InChI is InChI=1S/C20H40OSi/c1-9-10-11-12-13-14-15-18(2)16-19(3)17-21-22(7,8)20(4,5)6/h14-16,19H,9-13,17H2,1-8H3/b15-14+,18-16+/t19-/m0/s1.
What are the key properties of tert-butyl-[(2S,3E,5E)-2,4-dimethyldodeca-3,5-dienoxy]-dimethylsilane?
tert-butyl-[(2S,3E,5E)-2,4-dimethyldodeca-3,5-dienoxy]-dimethylsilane has a molecular weight of 324.62 g/mol, XLogP of 7.12, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3E,5E)-2,4-dimethyldodeca-3,5-dienoxy]-dimethylsilane is sourced from PubChem (CID 134982103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).