4-ethyl-2-(methoxymethylidene)-4-methylcyclohexan-1-one

C11H18O2 — CID 123674093

IUPAC4-ethyl-2-(methoxymethylidene)-4-methylcyclohexan-1-one
SMILESCCC1(C)CCC(=O)C(=COC)C1
InChIInChI=1S/C11H18O2/c1-4-11(2)6-5-10(12)9(7-11)8-13-3/h8H,4-7H2,1-3H3
InChIKeyUIXQRMLLFFMCTF-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.69
Rot. Bonds2

About 4-ethyl-2-(methoxymethylidene)-4-methylcyclohexan-1-one

4-ethyl-2-(methoxymethylidene)-4-methylcyclohexan-1-one (PubChem CID 123674093) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 4-ethyl-2-(methoxymethylidene)-4-methylcyclohexan-1-one.

Molecular Properties

Compound Name4-ethyl-2-(methoxymethylidene)-4-methylcyclohexan-1-one
PubChem CID123674093
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name4-ethyl-2-(methoxymethylidene)-4-methylcyclohexan-1-one
SMILESCCC1(C)CCC(=O)C(=COC)C1
InChIInChI=1S/C11H18O2/c1-4-11(2)6-5-10(12)9(7-11)8-13-3/h8H,4-7H2,1-3H3
InChIKeyUIXQRMLLFFMCTF-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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Related Compounds

6-(Hydroxymethylidene)-2,2-dimethylcyclohexan-1-one
CID 71398477
2-Hydroxymethylene-5,5-dimethylcyclohexanone
CID 86095407
2-[1-hydroxy-meth-(Z)-ylidene]-4,4-dimethyl-cyclohexanone
CID 58388182
(2Z)-4-tert-butyl-2-(hydroxymethylidene)cyclohexan-1-one
CID 70548170
5-Isopropenyloxymethylene-3,3-dimethyl-cyclohexanone
CID 606492
4-[(1S,2E)-2-(methoxymethylidene)cyclohexyl]butan-2-one
CID 14414123
2-(Ethoxymethylidene)-5,5-dimethylcyclohexane-1,3-dione
CID 107430834
4-[(1R,2E)-2-(methoxymethylidene)-5-methylcyclohexyl]butan-2-one
CID 134882451
4-[(1R,2E)-2-(methoxymethylidene)-5,5-dimethylcyclohexyl]butan-2-one
CID 134882582
2-(Ethoxymethylidene)-4-methylcyclohexan-1-one
CID 63708988
(5E)-5-[(Isopropenyloxy)methylene]-3,3-dimethylcyclohexanone
CID 5375341
(5Z)-3,3-dimethyl-5-(prop-1-en-2-yloxymethylidene)cyclohexan-1-one
CID 12087101

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(methoxymethylidene)-4-methylcyclohexan-1-one?
The IUPAC name of 4-ethyl-2-(methoxymethylidene)-4-methylcyclohexan-1-one (CID 123674093) is 4-ethyl-2-(methoxymethylidene)-4-methylcyclohexan-1-one.
What is the SMILES notation for 4-ethyl-2-(methoxymethylidene)-4-methylcyclohexan-1-one?
The canonical SMILES for 4-ethyl-2-(methoxymethylidene)-4-methylcyclohexan-1-one is CCC1(C)CCC(=O)C(=COC)C1.
What is the InChIKey of 4-ethyl-2-(methoxymethylidene)-4-methylcyclohexan-1-one?
The InChIKey is UIXQRMLLFFMCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-4-11(2)6-5-10(12)9(7-11)8-13-3/h8H,4-7H2,1-3H3.
What are the key properties of 4-ethyl-2-(methoxymethylidene)-4-methylcyclohexan-1-one?
4-ethyl-2-(methoxymethylidene)-4-methylcyclohexan-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 4-ethyl-2-(methoxymethylidene)-4-methylcyclohexan-1-one is sourced from PubChem (CID 123674093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).