2-ethynylbut-3-ynoxysilane

C6H8OSi — CID 173217302

IUPAC2-ethynylbut-3-ynoxysilane
SMILESC#CC(C#C)CO[SiH3]
InChIInChI=1S/C6H8OSi/c1-3-6(4-2)5-7-8/h1-2,6H,5H2,8H3
InChIKeyMEPNEEHRLQAMQL-UHFFFAOYSA-N
MW124.21 g/mol
LogP-0.83
Rot. Bonds2

About 2-ethynylbut-3-ynoxysilane

2-ethynylbut-3-ynoxysilane (PubChem CID 173217302) has the molecular formula C6H8OSi and a molecular weight of 124.21 g/mol. Its IUPAC name is 2-ethynylbut-3-ynoxysilane.

Molecular Properties

Compound Name2-ethynylbut-3-ynoxysilane
PubChem CID173217302
Molecular FormulaC6H8OSi
Molecular Weight124.21 g/mol
Exact Mass124.03
IUPAC Name2-ethynylbut-3-ynoxysilane
SMILESC#CC(C#C)CO[SiH3]
InChIInChI=1S/C6H8OSi/c1-3-6(4-2)5-7-8/h1-2,6H,5H2,8H3
InChIKeyMEPNEEHRLQAMQL-UHFFFAOYSA-N
XLogP-0.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.21
LogP ≤ 5-0.83
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-ethynylbut-3-ynoxysilane?
The IUPAC name of 2-ethynylbut-3-ynoxysilane (CID 173217302) is 2-ethynylbut-3-ynoxysilane.
What is the SMILES notation for 2-ethynylbut-3-ynoxysilane?
The canonical SMILES for 2-ethynylbut-3-ynoxysilane is C#CC(C#C)CO[SiH3].
What is the InChIKey of 2-ethynylbut-3-ynoxysilane?
The InChIKey is MEPNEEHRLQAMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8OSi/c1-3-6(4-2)5-7-8/h1-2,6H,5H2,8H3.
What are the key properties of 2-ethynylbut-3-ynoxysilane?
2-ethynylbut-3-ynoxysilane has a molecular weight of 124.21 g/mol, XLogP of -0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynylbut-3-ynoxysilane is sourced from PubChem (CID 173217302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).