ethyl 4-trimethylsilylbut-3-ynoate

C9H16O2Si — CID 11298356

IUPACethyl 4-trimethylsilylbut-3-ynoate
SMILESCCOC(=O)CC#C[Si](C)(C)C
InChIInChI=1S/C9H16O2Si/c1-5-11-9(10)7-6-8-12(2,3)4/h5,7H2,1-4H3
InChIKeyZPAKSUVMBOWIRD-UHFFFAOYSA-N
MW184.31 g/mol
LogP1.82
Rot. Bonds2

About ethyl 4-trimethylsilylbut-3-ynoate

ethyl 4-trimethylsilylbut-3-ynoate (PubChem CID 11298356) has the molecular formula C9H16O2Si and a molecular weight of 184.31 g/mol. Its IUPAC name is ethyl 4-trimethylsilylbut-3-ynoate.

Molecular Properties

Compound Nameethyl 4-trimethylsilylbut-3-ynoate
PubChem CID11298356
Molecular FormulaC9H16O2Si
Molecular Weight184.31 g/mol
Exact Mass184.09
IUPAC Nameethyl 4-trimethylsilylbut-3-ynoate
SMILESCCOC(=O)CC#C[Si](C)(C)C
InChIInChI=1S/C9H16O2Si/c1-5-11-9(10)7-6-8-12(2,3)4/h5,7H2,1-4H3
InChIKeyZPAKSUVMBOWIRD-UHFFFAOYSA-N
XLogP1.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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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Related Compounds

CID 262852
CID 262852
CID 568601
CID 568601
CID 87619
CID 87619
CID 87378
CID 87378
CID 11117822
CID 11117822
CID 16212916
CID 16212916
CID 219309
CID 219309
CID 268025
CID 268025
CID 13549953
CID 13549953
CID 86097791
CID 86097791
CID 10542121
CID 10542121
CID 10997726
CID 10997726

Frequently Asked Questions

What is the IUPAC name of ethyl 4-trimethylsilylbut-3-ynoate?
The IUPAC name of ethyl 4-trimethylsilylbut-3-ynoate (CID 11298356) is ethyl 4-trimethylsilylbut-3-ynoate.
What is the SMILES notation for ethyl 4-trimethylsilylbut-3-ynoate?
The canonical SMILES for ethyl 4-trimethylsilylbut-3-ynoate is CCOC(=O)CC#C[Si](C)(C)C.
What is the InChIKey of ethyl 4-trimethylsilylbut-3-ynoate?
The InChIKey is ZPAKSUVMBOWIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2Si/c1-5-11-9(10)7-6-8-12(2,3)4/h5,7H2,1-4H3.
What are the key properties of ethyl 4-trimethylsilylbut-3-ynoate?
ethyl 4-trimethylsilylbut-3-ynoate has a molecular weight of 184.31 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-trimethylsilylbut-3-ynoate is sourced from PubChem (CID 11298356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).