ethyl 3-oxo-5-trimethylsilylpent-4-ynoate

C10H16O3Si — CID 11469919

IUPACethyl 3-oxo-5-trimethylsilylpent-4-ynoate
SMILESCCOC(=O)CC(=O)C#C[Si](C)(C)C
InChIInChI=1S/C10H16O3Si/c1-5-13-10(12)8-9(11)6-7-14(2,3)4/h5,8H2,1-4H3
InChIKeyKNDNAXVUIHNCCC-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.39
Rot. Bonds3

About ethyl 3-oxo-5-trimethylsilylpent-4-ynoate

ethyl 3-oxo-5-trimethylsilylpent-4-ynoate (PubChem CID 11469919) has the molecular formula C10H16O3Si and a molecular weight of 212.32 g/mol. Its IUPAC name is ethyl 3-oxo-5-trimethylsilylpent-4-ynoate.

Molecular Properties

Compound Nameethyl 3-oxo-5-trimethylsilylpent-4-ynoate
PubChem CID11469919
Molecular FormulaC10H16O3Si
Molecular Weight212.32 g/mol
Exact Mass212.09
IUPAC Nameethyl 3-oxo-5-trimethylsilylpent-4-ynoate
SMILESCCOC(=O)CC(=O)C#C[Si](C)(C)C
InChIInChI=1S/C10H16O3Si/c1-5-13-10(12)8-9(11)6-7-14(2,3)4/h5,8H2,1-4H3
InChIKeyKNDNAXVUIHNCCC-UHFFFAOYSA-N
XLogP1.39
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-(Trimethoxysilyl)propyl 3-oxobutanoate
CID 22022576
Ethyl 3-oxo-2-(trimethylsilylmethyl)butanoate
CID 4116884
(4R)-4-(2-trimethylsilylethynyl)oxetan-2-one
CID 11298189
Ethyl 3-oxooct-4-ynoate
CID 11344379
Tert-butyl 5-[tert-butyl(dimethyl)silyl]-3-oxopent-4-ynoate
CID 14591153
Ethyl (5-(trimethylsilyl)pent-4-yn-1-yl) malonate
CID 91938193
Tert-butyl 3-oxo-5-trimethylsilylpent-4-ynoate
CID 102291774
2-Trimethylsilylethyl 2-methyl-3-oxohex-4-ynoate
CID 164665371
2-(Trimethylsilyl)ethyl Acetoacetate
CID 11481114
Trimethylsilylmethyl 3-oxobutanoate
CID 12624404
Ethyl 3-oxo-2-trimethylsilylbutanoate
CID 18630636
4-Trimethylsilylbut-3-yn-2-yl butanoate
CID 19840791

Frequently Asked Questions

What is the IUPAC name of ethyl 3-oxo-5-trimethylsilylpent-4-ynoate?
The IUPAC name of ethyl 3-oxo-5-trimethylsilylpent-4-ynoate (CID 11469919) is ethyl 3-oxo-5-trimethylsilylpent-4-ynoate.
What is the SMILES notation for ethyl 3-oxo-5-trimethylsilylpent-4-ynoate?
The canonical SMILES for ethyl 3-oxo-5-trimethylsilylpent-4-ynoate is CCOC(=O)CC(=O)C#C[Si](C)(C)C.
What is the InChIKey of ethyl 3-oxo-5-trimethylsilylpent-4-ynoate?
The InChIKey is KNDNAXVUIHNCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3Si/c1-5-13-10(12)8-9(11)6-7-14(2,3)4/h5,8H2,1-4H3.
What are the key properties of ethyl 3-oxo-5-trimethylsilylpent-4-ynoate?
ethyl 3-oxo-5-trimethylsilylpent-4-ynoate has a molecular weight of 212.32 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-oxo-5-trimethylsilylpent-4-ynoate is sourced from PubChem (CID 11469919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).