ethyl 7-[tert-butyl(dimethyl)silyl]oxy-2,4-dioxoheptanoate

C15H28O5Si — CID 54073086

IUPACethyl 7-[tert-butyl(dimethyl)silyl]oxy-2,4-dioxoheptanoate
SMILESCCOC(=O)C(=O)CC(=O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O5Si/c1-7-19-14(18)13(17)11-12(16)9-8-10-20-21(5,6)15(2,3)4/h7-11H2,1-6H3
InChIKeyMHVNDBLTCSBSGU-UHFFFAOYSA-N
MW316.47 g/mol
LogP2.88
Rot. Bonds9

About ethyl 7-[tert-butyl(dimethyl)silyl]oxy-2,4-dioxoheptanoate

ethyl 7-[tert-butyl(dimethyl)silyl]oxy-2,4-dioxoheptanoate (PubChem CID 54073086) has the molecular formula C15H28O5Si and a molecular weight of 316.47 g/mol. Its IUPAC name is ethyl 7-[tert-butyl(dimethyl)silyl]oxy-2,4-dioxoheptanoate.

Molecular Properties

Compound Nameethyl 7-[tert-butyl(dimethyl)silyl]oxy-2,4-dioxoheptanoate
PubChem CID54073086
Molecular FormulaC15H28O5Si
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Nameethyl 7-[tert-butyl(dimethyl)silyl]oxy-2,4-dioxoheptanoate
SMILESCCOC(=O)C(=O)CC(=O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O5Si/c1-7-19-14(18)13(17)11-12(16)9-8-10-20-21(5,6)15(2,3)4/h7-11H2,1-6H3
InChIKeyMHVNDBLTCSBSGU-UHFFFAOYSA-N
XLogP2.88
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-[tert-butyl(dimethyl)silyl]oxy-2,4-dioxoheptanoate?
The IUPAC name of ethyl 7-[tert-butyl(dimethyl)silyl]oxy-2,4-dioxoheptanoate (CID 54073086) is ethyl 7-[tert-butyl(dimethyl)silyl]oxy-2,4-dioxoheptanoate.
What is the SMILES notation for ethyl 7-[tert-butyl(dimethyl)silyl]oxy-2,4-dioxoheptanoate?
The canonical SMILES for ethyl 7-[tert-butyl(dimethyl)silyl]oxy-2,4-dioxoheptanoate is CCOC(=O)C(=O)CC(=O)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 7-[tert-butyl(dimethyl)silyl]oxy-2,4-dioxoheptanoate?
The InChIKey is MHVNDBLTCSBSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O5Si/c1-7-19-14(18)13(17)11-12(16)9-8-10-20-21(5,6)15(2,3)4/h7-11H2,1-6H3.
What are the key properties of ethyl 7-[tert-butyl(dimethyl)silyl]oxy-2,4-dioxoheptanoate?
ethyl 7-[tert-butyl(dimethyl)silyl]oxy-2,4-dioxoheptanoate has a molecular weight of 316.47 g/mol, XLogP of 2.88, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[tert-butyl(dimethyl)silyl]oxy-2,4-dioxoheptanoate is sourced from PubChem (CID 54073086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).