ethyl 2-[2-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]acetate

C15H26O4Si — CID 132594625

IUPACethyl 2-[2-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]acetate
SMILESCCOC(=O)CC1=C(O[Si](C)(C)C(C)(C)C)C(=O)CC1
InChIInChI=1S/C15H26O4Si/c1-7-18-13(17)10-11-8-9-12(16)14(11)19-20(5,6)15(2,3)4/h7-10H2,1-6H3
InChIKeyVQPRRTLJVYSQGM-UHFFFAOYSA-N
MW298.46 g/mol
LogP3.58
Rot. Bonds5

About ethyl 2-[2-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]acetate

ethyl 2-[2-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]acetate (PubChem CID 132594625) has the molecular formula C15H26O4Si and a molecular weight of 298.46 g/mol. Its IUPAC name is ethyl 2-[2-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]acetate
PubChem CID132594625
Molecular FormulaC15H26O4Si
Molecular Weight298.46 g/mol
Exact Mass298.16
IUPAC Nameethyl 2-[2-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]acetate
SMILESCCOC(=O)CC1=C(O[Si](C)(C)C(C)(C)C)C(=O)CC1
InChIInChI=1S/C15H26O4Si/c1-7-18-13(17)10-11-8-9-12(16)14(11)19-20(5,6)15(2,3)4/h7-10H2,1-6H3
InChIKeyVQPRRTLJVYSQGM-UHFFFAOYSA-N
XLogP3.58
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]acetate?
The IUPAC name of ethyl 2-[2-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]acetate (CID 132594625) is ethyl 2-[2-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]acetate?
The canonical SMILES for ethyl 2-[2-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]acetate is CCOC(=O)CC1=C(O[Si](C)(C)C(C)(C)C)C(=O)CC1.
What is the InChIKey of ethyl 2-[2-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]acetate?
The InChIKey is VQPRRTLJVYSQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4Si/c1-7-18-13(17)10-11-8-9-12(16)14(11)19-20(5,6)15(2,3)4/h7-10H2,1-6H3.
What are the key properties of ethyl 2-[2-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]acetate?
ethyl 2-[2-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]acetate has a molecular weight of 298.46 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]acetate is sourced from PubChem (CID 132594625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).