tert-butyl-[(2R,3E,5E)-5-ethyl-2,4-dimethylocta-3,5-dienoxy]-dimethylsilane

C18H36OSi — CID 135070086

IUPACtert-butyl-[(2R,3E,5E)-5-ethyl-2,4-dimethylocta-3,5-dienoxy]-dimethylsilane
SMILESCC/C=C(CC)/C(C)=C/[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36OSi/c1-10-12-17(11-2)16(4)13-15(3)14-19-20(8,9)18(5,6)7/h12-13,15H,10-11,14H2,1-9H3/b16-13+,17-12+/t15-/m1/s1
InChIKeyYPDSFJJETJHYRV-IEPYAJHESA-N
MW296.57 g/mol
LogP6.34
Rot. Bonds7

About tert-butyl-[(2R,3E,5E)-5-ethyl-2,4-dimethylocta-3,5-dienoxy]-dimethylsilane

tert-butyl-[(2R,3E,5E)-5-ethyl-2,4-dimethylocta-3,5-dienoxy]-dimethylsilane (PubChem CID 135070086) has the molecular formula C18H36OSi and a molecular weight of 296.57 g/mol. Its IUPAC name is tert-butyl-[(2R,3E,5E)-5-ethyl-2,4-dimethylocta-3,5-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3E,5E)-5-ethyl-2,4-dimethylocta-3,5-dienoxy]-dimethylsilane
PubChem CID135070086
Molecular FormulaC18H36OSi
Molecular Weight296.57 g/mol
Exact Mass296.25
IUPAC Nametert-butyl-[(2R,3E,5E)-5-ethyl-2,4-dimethylocta-3,5-dienoxy]-dimethylsilane
SMILESCC/C=C(CC)/C(C)=C/[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36OSi/c1-10-12-17(11-2)16(4)13-15(3)14-19-20(8,9)18(5,6)7/h12-13,15H,10-11,14H2,1-9H3/b16-13+,17-12+/t15-/m1/s1
InChIKeyYPDSFJJETJHYRV-IEPYAJHESA-N
XLogP6.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.57
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-[(2R,3E,5E)-5-ethyl-2,4-dimethylocta-3,5-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3E,5E)-5-ethyl-2,4-dimethylocta-3,5-dienoxy]-dimethylsilane (CID 135070086) is tert-butyl-[(2R,3E,5E)-5-ethyl-2,4-dimethylocta-3,5-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3E,5E)-5-ethyl-2,4-dimethylocta-3,5-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3E,5E)-5-ethyl-2,4-dimethylocta-3,5-dienoxy]-dimethylsilane is CC/C=C(CC)/C(C)=C/[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,3E,5E)-5-ethyl-2,4-dimethylocta-3,5-dienoxy]-dimethylsilane?
The InChIKey is YPDSFJJETJHYRV-IEPYAJHESA-N. The full InChI is InChI=1S/C18H36OSi/c1-10-12-17(11-2)16(4)13-15(3)14-19-20(8,9)18(5,6)7/h12-13,15H,10-11,14H2,1-9H3/b16-13+,17-12+/t15-/m1/s1.
What are the key properties of tert-butyl-[(2R,3E,5E)-5-ethyl-2,4-dimethylocta-3,5-dienoxy]-dimethylsilane?
tert-butyl-[(2R,3E,5E)-5-ethyl-2,4-dimethylocta-3,5-dienoxy]-dimethylsilane has a molecular weight of 296.57 g/mol, XLogP of 6.34, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3E,5E)-5-ethyl-2,4-dimethylocta-3,5-dienoxy]-dimethylsilane is sourced from PubChem (CID 135070086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).