tert-butyl-[(E)-4,4-dimethylhept-5-enoxy]-dimethylsilane

C15H32OSi — CID 174864981

IUPACtert-butyl-[(E)-4,4-dimethylhept-5-enoxy]-dimethylsilane
SMILESC/C=C/C(C)(C)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32OSi/c1-9-11-15(5,6)12-10-13-16-17(7,8)14(2,3)4/h9,11H,10,12-13H2,1-8H3/b11-9+
InChIKeyIMVAGLDLLULUGB-PKNBQFBNSA-N
MW256.51 g/mol
LogP5.39
Rot. Bonds6

About tert-butyl-[(E)-4,4-dimethylhept-5-enoxy]-dimethylsilane

tert-butyl-[(E)-4,4-dimethylhept-5-enoxy]-dimethylsilane (PubChem CID 174864981) has the molecular formula C15H32OSi and a molecular weight of 256.51 g/mol. Its IUPAC name is tert-butyl-[(E)-4,4-dimethylhept-5-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-4,4-dimethylhept-5-enoxy]-dimethylsilane
PubChem CID174864981
Molecular FormulaC15H32OSi
Molecular Weight256.51 g/mol
Exact Mass256.22
IUPAC Nametert-butyl-[(E)-4,4-dimethylhept-5-enoxy]-dimethylsilane
SMILESC/C=C/C(C)(C)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32OSi/c1-9-11-15(5,6)12-10-13-16-17(7,8)14(2,3)4/h9,11H,10,12-13H2,1-8H3/b11-9+
InChIKeyIMVAGLDLLULUGB-PKNBQFBNSA-N
XLogP5.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.51
LogP ≤ 55.39
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)-4,4-dimethylhept-5-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-4,4-dimethylhept-5-enoxy]-dimethylsilane (CID 174864981) is tert-butyl-[(E)-4,4-dimethylhept-5-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-4,4-dimethylhept-5-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-4,4-dimethylhept-5-enoxy]-dimethylsilane is C/C=C/C(C)(C)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E)-4,4-dimethylhept-5-enoxy]-dimethylsilane?
The InChIKey is IMVAGLDLLULUGB-PKNBQFBNSA-N. The full InChI is InChI=1S/C15H32OSi/c1-9-11-15(5,6)12-10-13-16-17(7,8)14(2,3)4/h9,11H,10,12-13H2,1-8H3/b11-9+.
What are the key properties of tert-butyl-[(E)-4,4-dimethylhept-5-enoxy]-dimethylsilane?
tert-butyl-[(E)-4,4-dimethylhept-5-enoxy]-dimethylsilane has a molecular weight of 256.51 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-4,4-dimethylhept-5-enoxy]-dimethylsilane is sourced from PubChem (CID 174864981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).