4-trimethylsilylbut-3-yn-2-yl acetate

C9H16O2Si — CID 85361071

IUPAC4-trimethylsilylbut-3-yn-2-yl acetate
SMILESCC(=O)OC(C)C#C[Si](C)(C)C
InChIInChI=1S/C9H16O2Si/c1-8(11-9(2)10)6-7-12(3,4)5/h8H,1-5H3
InChIKeyLEZOVLUDGFQFRN-UHFFFAOYSA-N
MW184.31 g/mol
LogP1.82
Rot. Bonds1

About 4-trimethylsilylbut-3-yn-2-yl acetate

4-trimethylsilylbut-3-yn-2-yl acetate (PubChem CID 85361071) has the molecular formula C9H16O2Si and a molecular weight of 184.31 g/mol. Its IUPAC name is 4-trimethylsilylbut-3-yn-2-yl acetate.

Molecular Properties

Compound Name4-trimethylsilylbut-3-yn-2-yl acetate
PubChem CID85361071
Molecular FormulaC9H16O2Si
Molecular Weight184.31 g/mol
Exact Mass184.09
IUPAC Name4-trimethylsilylbut-3-yn-2-yl acetate
SMILESCC(=O)OC(C)C#C[Si](C)(C)C
InChIInChI=1S/C9H16O2Si/c1-8(11-9(2)10)6-7-12(3,4)5/h8H,1-5H3
InChIKeyLEZOVLUDGFQFRN-UHFFFAOYSA-N
XLogP1.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-trimethylsilylbut-3-yn-2-yl acetate?
The IUPAC name of 4-trimethylsilylbut-3-yn-2-yl acetate (CID 85361071) is 4-trimethylsilylbut-3-yn-2-yl acetate.
What is the SMILES notation for 4-trimethylsilylbut-3-yn-2-yl acetate?
The canonical SMILES for 4-trimethylsilylbut-3-yn-2-yl acetate is CC(=O)OC(C)C#C[Si](C)(C)C.
What is the InChIKey of 4-trimethylsilylbut-3-yn-2-yl acetate?
The InChIKey is LEZOVLUDGFQFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2Si/c1-8(11-9(2)10)6-7-12(3,4)5/h8H,1-5H3.
What are the key properties of 4-trimethylsilylbut-3-yn-2-yl acetate?
4-trimethylsilylbut-3-yn-2-yl acetate has a molecular weight of 184.31 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trimethylsilylbut-3-yn-2-yl acetate is sourced from PubChem (CID 85361071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).