tert-butyl-dimethyl-[(E)-4-methylhex-4-enoxy]silane

C13H28OSi — CID 50936710

IUPACtert-butyl-dimethyl-[(E)-4-methylhex-4-enoxy]silane
SMILESC/C=C(\C)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28OSi/c1-8-12(2)10-9-11-14-15(6,7)13(3,4)5/h8H,9-11H2,1-7H3/b12-8+
InChIKeyRICWFEQRWRFDEA-XYOKQWHBSA-N
MW228.45 g/mol
LogP4.75
Rot. Bonds5

About tert-butyl-dimethyl-[(E)-4-methylhex-4-enoxy]silane

tert-butyl-dimethyl-[(E)-4-methylhex-4-enoxy]silane (PubChem CID 50936710) has the molecular formula C13H28OSi and a molecular weight of 228.45 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-4-methylhex-4-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-4-methylhex-4-enoxy]silane
PubChem CID50936710
Molecular FormulaC13H28OSi
Molecular Weight228.45 g/mol
Exact Mass228.19
IUPAC Nametert-butyl-dimethyl-[(E)-4-methylhex-4-enoxy]silane
SMILESC/C=C(\C)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28OSi/c1-8-12(2)10-9-11-14-15(6,7)13(3,4)5/h8H,9-11H2,1-7H3/b12-8+
InChIKeyRICWFEQRWRFDEA-XYOKQWHBSA-N
XLogP4.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.45
LogP ≤ 54.75
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-dimethyl-[(E)-4-methylhex-4-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E)-4-methylhex-4-enoxy]silane (CID 50936710) is tert-butyl-dimethyl-[(E)-4-methylhex-4-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-4-methylhex-4-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-4-methylhex-4-enoxy]silane is C/C=C(\C)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(E)-4-methylhex-4-enoxy]silane?
The InChIKey is RICWFEQRWRFDEA-XYOKQWHBSA-N. The full InChI is InChI=1S/C13H28OSi/c1-8-12(2)10-9-11-14-15(6,7)13(3,4)5/h8H,9-11H2,1-7H3/b12-8+.
What are the key properties of tert-butyl-dimethyl-[(E)-4-methylhex-4-enoxy]silane?
tert-butyl-dimethyl-[(E)-4-methylhex-4-enoxy]silane has a molecular weight of 228.45 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E)-4-methylhex-4-enoxy]silane is sourced from PubChem (CID 50936710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).