(6E)-3-ethoxy-6-(trimethylsilyloxymethylidene)cyclohex-2-en-1-one

C12H20O3Si — CID 5384242

IUPAC(6E)-3-ethoxy-6-(trimethylsilyloxymethylidene)cyclohex-2-en-1-one
SMILESCCOC1=CC(=O)/C(=C/O[Si](C)(C)C)CC1
InChIInChI=1S/C12H20O3Si/c1-5-14-11-7-6-10(12(13)8-11)9-15-16(2,3)4/h8-9H,5-7H2,1-4H3/b10-9+
InChIKeyZDQWRXDCRYZBGI-MDZDMXLPSA-N
MW240.37 g/mol
LogP3.01
Rot. Bonds4

About (6E)-3-ethoxy-6-(trimethylsilyloxymethylidene)cyclohex-2-en-1-one

(6E)-3-ethoxy-6-(trimethylsilyloxymethylidene)cyclohex-2-en-1-one (PubChem CID 5384242) has the molecular formula C12H20O3Si and a molecular weight of 240.37 g/mol. Its IUPAC name is (6E)-3-ethoxy-6-(trimethylsilyloxymethylidene)cyclohex-2-en-1-one.

Molecular Properties

Compound Name(6E)-3-ethoxy-6-(trimethylsilyloxymethylidene)cyclohex-2-en-1-one
PubChem CID5384242
Molecular FormulaC12H20O3Si
Molecular Weight240.37 g/mol
Exact Mass240.12
IUPAC Name(6E)-3-ethoxy-6-(trimethylsilyloxymethylidene)cyclohex-2-en-1-one
SMILESCCOC1=CC(=O)/C(=C/O[Si](C)(C)C)CC1
InChIInChI=1S/C12H20O3Si/c1-5-14-11-7-6-10(12(13)8-11)9-15-16(2,3)4/h8-9H,5-7H2,1-4H3/b10-9+
InChIKeyZDQWRXDCRYZBGI-MDZDMXLPSA-N
XLogP3.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of (6E)-3-ethoxy-6-(trimethylsilyloxymethylidene)cyclohex-2-en-1-one?
The IUPAC name of (6E)-3-ethoxy-6-(trimethylsilyloxymethylidene)cyclohex-2-en-1-one (CID 5384242) is (6E)-3-ethoxy-6-(trimethylsilyloxymethylidene)cyclohex-2-en-1-one.
What is the SMILES notation for (6E)-3-ethoxy-6-(trimethylsilyloxymethylidene)cyclohex-2-en-1-one?
The canonical SMILES for (6E)-3-ethoxy-6-(trimethylsilyloxymethylidene)cyclohex-2-en-1-one is CCOC1=CC(=O)/C(=C/O[Si](C)(C)C)CC1.
What is the InChIKey of (6E)-3-ethoxy-6-(trimethylsilyloxymethylidene)cyclohex-2-en-1-one?
The InChIKey is ZDQWRXDCRYZBGI-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H20O3Si/c1-5-14-11-7-6-10(12(13)8-11)9-15-16(2,3)4/h8-9H,5-7H2,1-4H3/b10-9+.
What are the key properties of (6E)-3-ethoxy-6-(trimethylsilyloxymethylidene)cyclohex-2-en-1-one?
(6E)-3-ethoxy-6-(trimethylsilyloxymethylidene)cyclohex-2-en-1-one has a molecular weight of 240.37 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-3-ethoxy-6-(trimethylsilyloxymethylidene)cyclohex-2-en-1-one is sourced from PubChem (CID 5384242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).