ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3,5-dioxohexanoate

C14H26O5Si — CID 23138843

IUPACethyl 6-[tert-butyl(dimethyl)silyl]oxy-3,5-dioxohexanoate
SMILESCCOC(=O)CC(=O)CC(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O5Si/c1-7-18-13(17)9-11(15)8-12(16)10-19-20(5,6)14(2,3)4/h7-10H2,1-6H3
InChIKeyKEBDRABUIKVDPG-UHFFFAOYSA-N
MW302.44 g/mol
LogP2.49
Rot. Bonds8

About ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3,5-dioxohexanoate

ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3,5-dioxohexanoate (PubChem CID 23138843) has the molecular formula C14H26O5Si and a molecular weight of 302.44 g/mol. Its IUPAC name is ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3,5-dioxohexanoate.

Molecular Properties

Compound Nameethyl 6-[tert-butyl(dimethyl)silyl]oxy-3,5-dioxohexanoate
PubChem CID23138843
Molecular FormulaC14H26O5Si
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Nameethyl 6-[tert-butyl(dimethyl)silyl]oxy-3,5-dioxohexanoate
SMILESCCOC(=O)CC(=O)CC(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O5Si/c1-7-18-13(17)9-11(15)8-12(16)10-19-20(5,6)14(2,3)4/h7-10H2,1-6H3
InChIKeyKEBDRABUIKVDPG-UHFFFAOYSA-N
XLogP2.49
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3,5-dioxohexanoate?
The IUPAC name of ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3,5-dioxohexanoate (CID 23138843) is ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3,5-dioxohexanoate.
What is the SMILES notation for ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3,5-dioxohexanoate?
The canonical SMILES for ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3,5-dioxohexanoate is CCOC(=O)CC(=O)CC(=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3,5-dioxohexanoate?
The InChIKey is KEBDRABUIKVDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O5Si/c1-7-18-13(17)9-11(15)8-12(16)10-19-20(5,6)14(2,3)4/h7-10H2,1-6H3.
What are the key properties of ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3,5-dioxohexanoate?
ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3,5-dioxohexanoate has a molecular weight of 302.44 g/mol, XLogP of 2.49, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3,5-dioxohexanoate is sourced from PubChem (CID 23138843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).