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

C14H24O3 — CID 70458352

IUPAC6-(1-ethoxyethoxymethylidene)-2,2,3-trimethylcyclohexan-1-one
SMILESCCOC(C)OC=C1CCC(C)C(C)(C)C1=O
InChIInChI=1S/C14H24O3/c1-6-16-11(3)17-9-12-8-7-10(2)14(4,5)13(12)15/h9-11H,6-8H2,1-5H3
InChIKeyPYBCEWHNSHCTNO-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.29
Rot. Bonds4

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

6-(1-ethoxyethoxymethylidene)-2,2,3-trimethylcyclohexan-1-one (PubChem CID 70458352) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 6-(1-ethoxyethoxymethylidene)-2,2,3-trimethylcyclohexan-1-one.

Molecular Properties

Compound Name6-(1-ethoxyethoxymethylidene)-2,2,3-trimethylcyclohexan-1-one
PubChem CID70458352
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name6-(1-ethoxyethoxymethylidene)-2,2,3-trimethylcyclohexan-1-one
SMILESCCOC(C)OC=C1CCC(C)C(C)(C)C1=O
InChIInChI=1S/C14H24O3/c1-6-16-11(3)17-9-12-8-7-10(2)14(4,5)13(12)15/h9-11H,6-8H2,1-5H3
InChIKeyPYBCEWHNSHCTNO-UHFFFAOYSA-N
XLogP3.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-(1-ethoxyethoxymethylidene)-2,2,3-trimethylcyclohexan-1-one?
The IUPAC name of 6-(1-ethoxyethoxymethylidene)-2,2,3-trimethylcyclohexan-1-one (CID 70458352) is 6-(1-ethoxyethoxymethylidene)-2,2,3-trimethylcyclohexan-1-one.
What is the SMILES notation for 6-(1-ethoxyethoxymethylidene)-2,2,3-trimethylcyclohexan-1-one?
The canonical SMILES for 6-(1-ethoxyethoxymethylidene)-2,2,3-trimethylcyclohexan-1-one is CCOC(C)OC=C1CCC(C)C(C)(C)C1=O.
What is the InChIKey of 6-(1-ethoxyethoxymethylidene)-2,2,3-trimethylcyclohexan-1-one?
The InChIKey is PYBCEWHNSHCTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-6-16-11(3)17-9-12-8-7-10(2)14(4,5)13(12)15/h9-11H,6-8H2,1-5H3.
What are the key properties of 6-(1-ethoxyethoxymethylidene)-2,2,3-trimethylcyclohexan-1-one?
6-(1-ethoxyethoxymethylidene)-2,2,3-trimethylcyclohexan-1-one has a molecular weight of 240.34 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethoxyethoxymethylidene)-2,2,3-trimethylcyclohexan-1-one is sourced from PubChem (CID 70458352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).