6-(2-ethoxyethoxymethylidene)-2,2,3-trimethylcyclohexan-1-one

C14H24O3 — CID 70458350

IUPAC6-(2-ethoxyethoxymethylidene)-2,2,3-trimethylcyclohexan-1-one
SMILESCCOCCOC=C1CCC(C)C(C)(C)C1=O
InChIInChI=1S/C14H24O3/c1-5-16-8-9-17-10-12-7-6-11(2)14(3,4)13(12)15/h10-11H,5-9H2,1-4H3
InChIKeyXKVGFWFEPMSKJN-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.95
Rot. Bonds5

About 6-(2-ethoxyethoxymethylidene)-2,2,3-trimethylcyclohexan-1-one

6-(2-ethoxyethoxymethylidene)-2,2,3-trimethylcyclohexan-1-one (PubChem CID 70458350) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 6-(2-ethoxyethoxymethylidene)-2,2,3-trimethylcyclohexan-1-one.

Molecular Properties

Compound Name6-(2-ethoxyethoxymethylidene)-2,2,3-trimethylcyclohexan-1-one
PubChem CID70458350
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name6-(2-ethoxyethoxymethylidene)-2,2,3-trimethylcyclohexan-1-one
SMILESCCOCCOC=C1CCC(C)C(C)(C)C1=O
InChIInChI=1S/C14H24O3/c1-5-16-8-9-17-10-12-7-6-11(2)14(3,4)13(12)15/h10-11H,5-9H2,1-4H3
InChIKeyXKVGFWFEPMSKJN-UHFFFAOYSA-N
XLogP2.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxyethoxymethylidene)-2,2,3-trimethylcyclohexan-1-one?
The IUPAC name of 6-(2-ethoxyethoxymethylidene)-2,2,3-trimethylcyclohexan-1-one (CID 70458350) is 6-(2-ethoxyethoxymethylidene)-2,2,3-trimethylcyclohexan-1-one.
What is the SMILES notation for 6-(2-ethoxyethoxymethylidene)-2,2,3-trimethylcyclohexan-1-one?
The canonical SMILES for 6-(2-ethoxyethoxymethylidene)-2,2,3-trimethylcyclohexan-1-one is CCOCCOC=C1CCC(C)C(C)(C)C1=O.
What is the InChIKey of 6-(2-ethoxyethoxymethylidene)-2,2,3-trimethylcyclohexan-1-one?
The InChIKey is XKVGFWFEPMSKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-5-16-8-9-17-10-12-7-6-11(2)14(3,4)13(12)15/h10-11H,5-9H2,1-4H3.
What are the key properties of 6-(2-ethoxyethoxymethylidene)-2,2,3-trimethylcyclohexan-1-one?
6-(2-ethoxyethoxymethylidene)-2,2,3-trimethylcyclohexan-1-one has a molecular weight of 240.34 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyethoxymethylidene)-2,2,3-trimethylcyclohexan-1-one is sourced from PubChem (CID 70458350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).