[(E)-3,3-dimethylbut-1-enoxy]-trimethylsilane

C9H20OSi — CID 14472430

IUPAC[(E)-3,3-dimethylbut-1-enoxy]-trimethylsilane
SMILESCC(C)(C)/C=C/O[Si](C)(C)C
InChIInChI=1S/C9H20OSi/c1-9(2,3)7-8-10-11(4,5)6/h7-8H,1-6H3/b8-7+
InChIKeyDHWXTDPDWIQGIN-BQYQJAHWSA-N
MW172.34 g/mol
LogP3.40
Rot. Bonds2

About [(E)-3,3-dimethylbut-1-enoxy]-trimethylsilane

[(E)-3,3-dimethylbut-1-enoxy]-trimethylsilane (PubChem CID 14472430) has the molecular formula C9H20OSi and a molecular weight of 172.34 g/mol. Its IUPAC name is [(E)-3,3-dimethylbut-1-enoxy]-trimethylsilane.

Molecular Properties

Compound Name[(E)-3,3-dimethylbut-1-enoxy]-trimethylsilane
PubChem CID14472430
Molecular FormulaC9H20OSi
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name[(E)-3,3-dimethylbut-1-enoxy]-trimethylsilane
SMILESCC(C)(C)/C=C/O[Si](C)(C)C
InChIInChI=1S/C9H20OSi/c1-9(2,3)7-8-10-11(4,5)6/h7-8H,1-6H3/b8-7+
InChIKeyDHWXTDPDWIQGIN-BQYQJAHWSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 53.40
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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Frequently Asked Questions

What is the IUPAC name of [(E)-3,3-dimethylbut-1-enoxy]-trimethylsilane?
The IUPAC name of [(E)-3,3-dimethylbut-1-enoxy]-trimethylsilane (CID 14472430) is [(E)-3,3-dimethylbut-1-enoxy]-trimethylsilane.
What is the SMILES notation for [(E)-3,3-dimethylbut-1-enoxy]-trimethylsilane?
The canonical SMILES for [(E)-3,3-dimethylbut-1-enoxy]-trimethylsilane is CC(C)(C)/C=C/O[Si](C)(C)C.
What is the InChIKey of [(E)-3,3-dimethylbut-1-enoxy]-trimethylsilane?
The InChIKey is DHWXTDPDWIQGIN-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H20OSi/c1-9(2,3)7-8-10-11(4,5)6/h7-8H,1-6H3/b8-7+.
What are the key properties of [(E)-3,3-dimethylbut-1-enoxy]-trimethylsilane?
[(E)-3,3-dimethylbut-1-enoxy]-trimethylsilane has a molecular weight of 172.34 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3,3-dimethylbut-1-enoxy]-trimethylsilane is sourced from PubChem (CID 14472430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).