4-trimethylsilylbut-3-yn-2-yl butanoate

C11H20O2Si — CID 19840791

IUPAC4-trimethylsilylbut-3-yn-2-yl butanoate
SMILESCCCC(=O)OC(C)C#C[Si](C)(C)C
InChIInChI=1S/C11H20O2Si/c1-6-7-11(12)13-10(2)8-9-14(3,4)5/h10H,6-7H2,1-5H3
InChIKeyWNQDXMRFAHFYBM-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.60
Rot. Bonds3

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

4-trimethylsilylbut-3-yn-2-yl butanoate (PubChem CID 19840791) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is 4-trimethylsilylbut-3-yn-2-yl butanoate.

Molecular Properties

Compound Name4-trimethylsilylbut-3-yn-2-yl butanoate
PubChem CID19840791
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name4-trimethylsilylbut-3-yn-2-yl butanoate
SMILESCCCC(=O)OC(C)C#C[Si](C)(C)C
InChIInChI=1S/C11H20O2Si/c1-6-7-11(12)13-10(2)8-9-14(3,4)5/h10H,6-7H2,1-5H3
InChIKeyWNQDXMRFAHFYBM-UHFFFAOYSA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.60
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 butanoate?
The IUPAC name of 4-trimethylsilylbut-3-yn-2-yl butanoate (CID 19840791) is 4-trimethylsilylbut-3-yn-2-yl butanoate.
What is the SMILES notation for 4-trimethylsilylbut-3-yn-2-yl butanoate?
The canonical SMILES for 4-trimethylsilylbut-3-yn-2-yl butanoate is CCCC(=O)OC(C)C#C[Si](C)(C)C.
What is the InChIKey of 4-trimethylsilylbut-3-yn-2-yl butanoate?
The InChIKey is WNQDXMRFAHFYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-6-7-11(12)13-10(2)8-9-14(3,4)5/h10H,6-7H2,1-5H3.
What are the key properties of 4-trimethylsilylbut-3-yn-2-yl butanoate?
4-trimethylsilylbut-3-yn-2-yl butanoate has a molecular weight of 212.36 g/mol, XLogP of 2.60, 3 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 butanoate is sourced from PubChem (CID 19840791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).