(2-ethynyl-2-methylbut-3-ynoxy)silane

C7H10OSi — CID 123727540

IUPAC(2-ethynyl-2-methylbut-3-ynoxy)silane
SMILESC#CC(C)(C#C)CO[SiH3]
InChIInChI=1S/C7H10OSi/c1-4-7(3,5-2)6-8-9/h1-2H,6H2,3,9H3
InChIKeyMHDCDZBLQGRDAB-UHFFFAOYSA-N
MW138.24 g/mol
LogP-0.44
Rot. Bonds2

About (2-ethynyl-2-methylbut-3-ynoxy)silane

(2-ethynyl-2-methylbut-3-ynoxy)silane (PubChem CID 123727540) has the molecular formula C7H10OSi and a molecular weight of 138.24 g/mol. Its IUPAC name is (2-ethynyl-2-methylbut-3-ynoxy)silane.

Molecular Properties

Compound Name(2-ethynyl-2-methylbut-3-ynoxy)silane
PubChem CID123727540
Molecular FormulaC7H10OSi
Molecular Weight138.24 g/mol
Exact Mass138.05
IUPAC Name(2-ethynyl-2-methylbut-3-ynoxy)silane
SMILESC#CC(C)(C#C)CO[SiH3]
InChIInChI=1S/C7H10OSi/c1-4-7(3,5-2)6-8-9/h1-2H,6H2,3,9H3
InChIKeyMHDCDZBLQGRDAB-UHFFFAOYSA-N
XLogP-0.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.24
LogP ≤ 5-0.44
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 (2-ethynyl-2-methylbut-3-ynoxy)silane?
The IUPAC name of (2-ethynyl-2-methylbut-3-ynoxy)silane (CID 123727540) is (2-ethynyl-2-methylbut-3-ynoxy)silane.
What is the SMILES notation for (2-ethynyl-2-methylbut-3-ynoxy)silane?
The canonical SMILES for (2-ethynyl-2-methylbut-3-ynoxy)silane is C#CC(C)(C#C)CO[SiH3].
What is the InChIKey of (2-ethynyl-2-methylbut-3-ynoxy)silane?
The InChIKey is MHDCDZBLQGRDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10OSi/c1-4-7(3,5-2)6-8-9/h1-2H,6H2,3,9H3.
What are the key properties of (2-ethynyl-2-methylbut-3-ynoxy)silane?
(2-ethynyl-2-methylbut-3-ynoxy)silane has a molecular weight of 138.24 g/mol, XLogP of -0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethynyl-2-methylbut-3-ynoxy)silane is sourced from PubChem (CID 123727540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).