6-(ethoxymethylidene)-2,2-dimethylcyclohexan-1-one

C11H18O2 — CID 79834563

IUPAC6-(ethoxymethylidene)-2,2-dimethylcyclohexan-1-one
SMILESCCOC=C1CCCC(C)(C)C1=O
InChIInChI=1S/C11H18O2/c1-4-13-8-9-6-5-7-11(2,3)10(9)12/h8H,4-7H2,1-3H3
InChIKeyRSPHSTSDZLJDHX-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.69
Rot. Bonds2

About 6-(ethoxymethylidene)-2,2-dimethylcyclohexan-1-one

6-(ethoxymethylidene)-2,2-dimethylcyclohexan-1-one (PubChem CID 79834563) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 6-(ethoxymethylidene)-2,2-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name6-(ethoxymethylidene)-2,2-dimethylcyclohexan-1-one
PubChem CID79834563
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name6-(ethoxymethylidene)-2,2-dimethylcyclohexan-1-one
SMILESCCOC=C1CCCC(C)(C)C1=O
InChIInChI=1S/C11H18O2/c1-4-13-8-9-6-5-7-11(2,3)10(9)12/h8H,4-7H2,1-3H3
InChIKeyRSPHSTSDZLJDHX-UHFFFAOYSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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-(ethoxymethylidene)-2,2-dimethylcyclohexan-1-one?
The IUPAC name of 6-(ethoxymethylidene)-2,2-dimethylcyclohexan-1-one (CID 79834563) is 6-(ethoxymethylidene)-2,2-dimethylcyclohexan-1-one.
What is the SMILES notation for 6-(ethoxymethylidene)-2,2-dimethylcyclohexan-1-one?
The canonical SMILES for 6-(ethoxymethylidene)-2,2-dimethylcyclohexan-1-one is CCOC=C1CCCC(C)(C)C1=O.
What is the InChIKey of 6-(ethoxymethylidene)-2,2-dimethylcyclohexan-1-one?
The InChIKey is RSPHSTSDZLJDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-4-13-8-9-6-5-7-11(2,3)10(9)12/h8H,4-7H2,1-3H3.
What are the key properties of 6-(ethoxymethylidene)-2,2-dimethylcyclohexan-1-one?
6-(ethoxymethylidene)-2,2-dimethylcyclohexan-1-one has a molecular weight of 182.26 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethoxymethylidene)-2,2-dimethylcyclohexan-1-one is sourced from PubChem (CID 79834563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).