tert-butyl-[(E)-6,6,7,7,8,8,8-heptadeuteriooct-4-enoxy]-dimethylsilane

C14H30OSi — CID 134983005

IUPACtert-butyl-[(E)-6,6,7,7,8,8,8-heptadeuteriooct-4-enoxy]-dimethylsilane
SMILES[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])/C=C/CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30OSi/c1-7-8-9-10-11-12-13-15-16(5,6)14(2,3)4/h9-10H,7-8,11-13H2,1-6H3/b10-9+/i1D3,7D2,8D2
InChIKeyCUSUGLDSESHKTN-NOFXUNRHSA-N
MW249.52 g/mol
LogP5.14
Rot. Bonds8

About tert-butyl-[(E)-6,6,7,7,8,8,8-heptadeuteriooct-4-enoxy]-dimethylsilane

tert-butyl-[(E)-6,6,7,7,8,8,8-heptadeuteriooct-4-enoxy]-dimethylsilane (PubChem CID 134983005) has the molecular formula C14H30OSi and a molecular weight of 249.52 g/mol. Its IUPAC name is tert-butyl-[(E)-6,6,7,7,8,8,8-heptadeuteriooct-4-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-6,6,7,7,8,8,8-heptadeuteriooct-4-enoxy]-dimethylsilane
PubChem CID134983005
Molecular FormulaC14H30OSi
Molecular Weight249.52 g/mol
Exact Mass249.25
IUPAC Nametert-butyl-[(E)-6,6,7,7,8,8,8-heptadeuteriooct-4-enoxy]-dimethylsilane
SMILES[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])/C=C/CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30OSi/c1-7-8-9-10-11-12-13-15-16(5,6)14(2,3)4/h9-10H,7-8,11-13H2,1-6H3/b10-9+/i1D3,7D2,8D2
InChIKeyCUSUGLDSESHKTN-NOFXUNRHSA-N
XLogP5.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.52
LogP ≤ 55.14
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-6,6,7,7,8,8,8-heptadeuteriooct-4-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-6,6,7,7,8,8,8-heptadeuteriooct-4-enoxy]-dimethylsilane (CID 134983005) is tert-butyl-[(E)-6,6,7,7,8,8,8-heptadeuteriooct-4-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-6,6,7,7,8,8,8-heptadeuteriooct-4-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-6,6,7,7,8,8,8-heptadeuteriooct-4-enoxy]-dimethylsilane is [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])/C=C/CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E)-6,6,7,7,8,8,8-heptadeuteriooct-4-enoxy]-dimethylsilane?
The InChIKey is CUSUGLDSESHKTN-NOFXUNRHSA-N. The full InChI is InChI=1S/C14H30OSi/c1-7-8-9-10-11-12-13-15-16(5,6)14(2,3)4/h9-10H,7-8,11-13H2,1-6H3/b10-9+/i1D3,7D2,8D2.
What are the key properties of tert-butyl-[(E)-6,6,7,7,8,8,8-heptadeuteriooct-4-enoxy]-dimethylsilane?
tert-butyl-[(E)-6,6,7,7,8,8,8-heptadeuteriooct-4-enoxy]-dimethylsilane has a molecular weight of 249.52 g/mol, XLogP of 5.14, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-6,6,7,7,8,8,8-heptadeuteriooct-4-enoxy]-dimethylsilane is sourced from PubChem (CID 134983005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).