3,4-dimethylhex-1-yn-3-yloxy(trimethyl)silane

C11H22OSi — CID 87393046

IUPAC3,4-dimethylhex-1-yn-3-yloxy(trimethyl)silane
SMILESC#CC(C)(O[Si](C)(C)C)C(C)CC
InChIInChI=1S/C11H22OSi/c1-8-10(3)11(4,9-2)12-13(5,6)7/h2,10H,8H2,1,3-7H3
InChIKeyWMWIYZXJCWOUOX-UHFFFAOYSA-N
MW198.38 g/mol
LogP3.28
Rot. Bonds4

About 3,4-dimethylhex-1-yn-3-yloxy(trimethyl)silane

3,4-dimethylhex-1-yn-3-yloxy(trimethyl)silane (PubChem CID 87393046) has the molecular formula C11H22OSi and a molecular weight of 198.38 g/mol. Its IUPAC name is 3,4-dimethylhex-1-yn-3-yloxy(trimethyl)silane.

Molecular Properties

Compound Name3,4-dimethylhex-1-yn-3-yloxy(trimethyl)silane
PubChem CID87393046
Molecular FormulaC11H22OSi
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Name3,4-dimethylhex-1-yn-3-yloxy(trimethyl)silane
SMILESC#CC(C)(O[Si](C)(C)C)C(C)CC
InChIInChI=1S/C11H22OSi/c1-8-10(3)11(4,9-2)12-13(5,6)7/h2,10H,8H2,1,3-7H3
InChIKeyWMWIYZXJCWOUOX-UHFFFAOYSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylhex-1-yn-3-yloxy(trimethyl)silane?
The IUPAC name of 3,4-dimethylhex-1-yn-3-yloxy(trimethyl)silane (CID 87393046) is 3,4-dimethylhex-1-yn-3-yloxy(trimethyl)silane.
What is the SMILES notation for 3,4-dimethylhex-1-yn-3-yloxy(trimethyl)silane?
The canonical SMILES for 3,4-dimethylhex-1-yn-3-yloxy(trimethyl)silane is C#CC(C)(O[Si](C)(C)C)C(C)CC.
What is the InChIKey of 3,4-dimethylhex-1-yn-3-yloxy(trimethyl)silane?
The InChIKey is WMWIYZXJCWOUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OSi/c1-8-10(3)11(4,9-2)12-13(5,6)7/h2,10H,8H2,1,3-7H3.
What are the key properties of 3,4-dimethylhex-1-yn-3-yloxy(trimethyl)silane?
3,4-dimethylhex-1-yn-3-yloxy(trimethyl)silane has a molecular weight of 198.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylhex-1-yn-3-yloxy(trimethyl)silane is sourced from PubChem (CID 87393046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).