ethyl 4-[cyclopropyl(trimethylsilyloxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate

C16H24O5Si — CID 91696787

IUPACethyl 4-[cyclopropyl(trimethylsilyloxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate
SMILESCCOC(=O)C1CC(=O)C(=C(O[Si](C)(C)C)C2CC2)C(=O)C1
InChIInChI=1S/C16H24O5Si/c1-5-20-16(19)11-8-12(17)14(13(18)9-11)15(10-6-7-10)21-22(2,3)4/h10-11H,5-9H2,1-4H3/b15-14-
InChIKeyUBXHULUUERAXPD-PFONDFGASA-N
MW324.45 g/mol
LogP2.61
Rot. Bonds5

About ethyl 4-[cyclopropyl(trimethylsilyloxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate

ethyl 4-[cyclopropyl(trimethylsilyloxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate (PubChem CID 91696787) has the molecular formula C16H24O5Si and a molecular weight of 324.45 g/mol. Its IUPAC name is ethyl 4-[cyclopropyl(trimethylsilyloxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[cyclopropyl(trimethylsilyloxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate
PubChem CID91696787
Molecular FormulaC16H24O5Si
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC Nameethyl 4-[cyclopropyl(trimethylsilyloxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate
SMILESCCOC(=O)C1CC(=O)C(=C(O[Si](C)(C)C)C2CC2)C(=O)C1
InChIInChI=1S/C16H24O5Si/c1-5-20-16(19)11-8-12(17)14(13(18)9-11)15(10-6-7-10)21-22(2,3)4/h10-11H,5-9H2,1-4H3/b15-14-
InChIKeyUBXHULUUERAXPD-PFONDFGASA-N
XLogP2.61
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[cyclopropyl(trimethylsilyloxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[cyclopropyl(trimethylsilyloxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate (CID 91696787) is ethyl 4-[cyclopropyl(trimethylsilyloxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[cyclopropyl(trimethylsilyloxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[cyclopropyl(trimethylsilyloxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate is CCOC(=O)C1CC(=O)C(=C(O[Si](C)(C)C)C2CC2)C(=O)C1.
What is the InChIKey of ethyl 4-[cyclopropyl(trimethylsilyloxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate?
The InChIKey is UBXHULUUERAXPD-PFONDFGASA-N. The full InChI is InChI=1S/C16H24O5Si/c1-5-20-16(19)11-8-12(17)14(13(18)9-11)15(10-6-7-10)21-22(2,3)4/h10-11H,5-9H2,1-4H3/b15-14-.
What are the key properties of ethyl 4-[cyclopropyl(trimethylsilyloxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate?
ethyl 4-[cyclopropyl(trimethylsilyloxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate has a molecular weight of 324.45 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[cyclopropyl(trimethylsilyloxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate is sourced from PubChem (CID 91696787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).