ethyl 3-oxo-4-tri(propan-2-yl)silyloxybutanoate

C15H30O4Si — CID 59370314

IUPACethyl 3-oxo-4-tri(propan-2-yl)silyloxybutanoate
SMILESCCOC(=O)CC(=O)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H30O4Si/c1-8-18-15(17)9-14(16)10-19-20(11(2)3,12(4)5)13(6)7/h11-13H,8-10H2,1-7H3
InChIKeyRELIHJBOJHJAKV-UHFFFAOYSA-N
MW302.49 g/mol
LogP3.70
Rot. Bonds9

About ethyl 3-oxo-4-tri(propan-2-yl)silyloxybutanoate

ethyl 3-oxo-4-tri(propan-2-yl)silyloxybutanoate (PubChem CID 59370314) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is ethyl 3-oxo-4-tri(propan-2-yl)silyloxybutanoate.

Molecular Properties

Compound Nameethyl 3-oxo-4-tri(propan-2-yl)silyloxybutanoate
PubChem CID59370314
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Nameethyl 3-oxo-4-tri(propan-2-yl)silyloxybutanoate
SMILESCCOC(=O)CC(=O)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H30O4Si/c1-8-18-15(17)9-14(16)10-19-20(11(2)3,12(4)5)13(6)7/h11-13H,8-10H2,1-7H3
InChIKeyRELIHJBOJHJAKV-UHFFFAOYSA-N
XLogP3.70
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-oxo-4-tri(propan-2-yl)silyloxybutanoate?
The IUPAC name of ethyl 3-oxo-4-tri(propan-2-yl)silyloxybutanoate (CID 59370314) is ethyl 3-oxo-4-tri(propan-2-yl)silyloxybutanoate.
What is the SMILES notation for ethyl 3-oxo-4-tri(propan-2-yl)silyloxybutanoate?
The canonical SMILES for ethyl 3-oxo-4-tri(propan-2-yl)silyloxybutanoate is CCOC(=O)CC(=O)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of ethyl 3-oxo-4-tri(propan-2-yl)silyloxybutanoate?
The InChIKey is RELIHJBOJHJAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-8-18-15(17)9-14(16)10-19-20(11(2)3,12(4)5)13(6)7/h11-13H,8-10H2,1-7H3.
What are the key properties of ethyl 3-oxo-4-tri(propan-2-yl)silyloxybutanoate?
ethyl 3-oxo-4-tri(propan-2-yl)silyloxybutanoate has a molecular weight of 302.49 g/mol, XLogP of 3.70, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-oxo-4-tri(propan-2-yl)silyloxybutanoate is sourced from PubChem (CID 59370314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).