but-2-ynoxy(dimethoxy)silane

C6H12O3Si — CID 152596145

IUPACbut-2-ynoxy(dimethoxy)silane
SMILESCC#CCO[SiH](OC)OC
InChIInChI=1S/C6H12O3Si/c1-4-5-6-9-10(7-2)8-3/h10H,6H2,1-3H3
InChIKeyYWNCHVYNUAZERH-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.04
Rot. Bonds4

About but-2-ynoxy(dimethoxy)silane

but-2-ynoxy(dimethoxy)silane (PubChem CID 152596145) has the molecular formula C6H12O3Si and a molecular weight of 160.24 g/mol. Its IUPAC name is but-2-ynoxy(dimethoxy)silane.

Molecular Properties

Compound Namebut-2-ynoxy(dimethoxy)silane
PubChem CID152596145
Molecular FormulaC6H12O3Si
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Namebut-2-ynoxy(dimethoxy)silane
SMILESCC#CCO[SiH](OC)OC
InChIInChI=1S/C6H12O3Si/c1-4-5-6-9-10(7-2)8-3/h10H,6H2,1-3H3
InChIKeyYWNCHVYNUAZERH-UHFFFAOYSA-N
XLogP0.04
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 87487
CID 87487
Methyl-bis(prop-2-ynoxy)silane
CID 170847768
Dipropyl silicate
CID 20517230
Fluoro(dipropoxy)silane
CID 123890601
Methoxypropargyloxysilane
CID 129807969
CID 10898870
CID 10898870
CID 13783507
CID 13783507
Dipropoxysilane
CID 13797384
CID 23504487
CID 23504487
Diethoxy(ethynoxy)silane
CID 58807018
CID 60105592
CID 60105592
Diethoxy(methoxy)silane
CID 60105593

Frequently Asked Questions

What is the IUPAC name of but-2-ynoxy(dimethoxy)silane?
The IUPAC name of but-2-ynoxy(dimethoxy)silane (CID 152596145) is but-2-ynoxy(dimethoxy)silane.
What is the SMILES notation for but-2-ynoxy(dimethoxy)silane?
The canonical SMILES for but-2-ynoxy(dimethoxy)silane is CC#CCO[SiH](OC)OC.
What is the InChIKey of but-2-ynoxy(dimethoxy)silane?
The InChIKey is YWNCHVYNUAZERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3Si/c1-4-5-6-9-10(7-2)8-3/h10H,6H2,1-3H3.
What are the key properties of but-2-ynoxy(dimethoxy)silane?
but-2-ynoxy(dimethoxy)silane has a molecular weight of 160.24 g/mol, XLogP of 0.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-ynoxy(dimethoxy)silane is sourced from PubChem (CID 152596145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).