(2-tert-butyl-3,3-dimethylbut-1-enoxy)-trimethylsilane

C13H28OSi — CID 50924334

IUPAC(2-tert-butyl-3,3-dimethylbut-1-enoxy)-trimethylsilane
SMILESCC(C)(C)C(=CO[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C13H28OSi/c1-12(2,3)11(13(4,5)6)10-14-15(7,8)9/h10H,1-9H3
InChIKeyFJLSIJSTVIKECW-UHFFFAOYSA-N
MW228.45 g/mol
LogP4.81
Rot. Bonds2

About (2-tert-butyl-3,3-dimethylbut-1-enoxy)-trimethylsilane

(2-tert-butyl-3,3-dimethylbut-1-enoxy)-trimethylsilane (PubChem CID 50924334) has the molecular formula C13H28OSi and a molecular weight of 228.45 g/mol. Its IUPAC name is (2-tert-butyl-3,3-dimethylbut-1-enoxy)-trimethylsilane.

Molecular Properties

Compound Name(2-tert-butyl-3,3-dimethylbut-1-enoxy)-trimethylsilane
PubChem CID50924334
Molecular FormulaC13H28OSi
Molecular Weight228.45 g/mol
Exact Mass228.19
IUPAC Name(2-tert-butyl-3,3-dimethylbut-1-enoxy)-trimethylsilane
SMILESCC(C)(C)C(=CO[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C13H28OSi/c1-12(2,3)11(13(4,5)6)10-14-15(7,8)9/h10H,1-9H3
InChIKeyFJLSIJSTVIKECW-UHFFFAOYSA-N
XLogP4.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.45
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[(Z)-3-tert-butyl-2-methylhex-1-enoxy]-trimethylsilane
CID 134980928
(2-Tert-butyl-3,3-dimethylbut-1-enyl)-ethoxysilane
CID 150237464
tert-butyl-[(E)-3,3-dimethylhex-1-enoxy]-dimethylsilane
CID 173607999

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-3,3-dimethylbut-1-enoxy)-trimethylsilane?
The IUPAC name of (2-tert-butyl-3,3-dimethylbut-1-enoxy)-trimethylsilane (CID 50924334) is (2-tert-butyl-3,3-dimethylbut-1-enoxy)-trimethylsilane.
What is the SMILES notation for (2-tert-butyl-3,3-dimethylbut-1-enoxy)-trimethylsilane?
The canonical SMILES for (2-tert-butyl-3,3-dimethylbut-1-enoxy)-trimethylsilane is CC(C)(C)C(=CO[Si](C)(C)C)C(C)(C)C.
What is the InChIKey of (2-tert-butyl-3,3-dimethylbut-1-enoxy)-trimethylsilane?
The InChIKey is FJLSIJSTVIKECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28OSi/c1-12(2,3)11(13(4,5)6)10-14-15(7,8)9/h10H,1-9H3.
What are the key properties of (2-tert-butyl-3,3-dimethylbut-1-enoxy)-trimethylsilane?
(2-tert-butyl-3,3-dimethylbut-1-enoxy)-trimethylsilane has a molecular weight of 228.45 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-3,3-dimethylbut-1-enoxy)-trimethylsilane is sourced from PubChem (CID 50924334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).