4-(1-ethoxyethenyl)-2,2,6,6-tetramethylcyclohexan-1-one

C14H24O2 — CID 91505396

IUPAC4-(1-ethoxyethenyl)-2,2,6,6-tetramethylcyclohexan-1-one
SMILESC=C(OCC)C1CC(C)(C)C(=O)C(C)(C)C1
InChIInChI=1S/C14H24O2/c1-7-16-10(2)11-8-13(3,4)12(15)14(5,6)9-11/h11H,2,7-9H2,1,3-6H3
InChIKeyFEZGDBDGNVXNCI-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.57
Rot. Bonds3

About 4-(1-ethoxyethenyl)-2,2,6,6-tetramethylcyclohexan-1-one

4-(1-ethoxyethenyl)-2,2,6,6-tetramethylcyclohexan-1-one (PubChem CID 91505396) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 4-(1-ethoxyethenyl)-2,2,6,6-tetramethylcyclohexan-1-one.

Molecular Properties

Compound Name4-(1-ethoxyethenyl)-2,2,6,6-tetramethylcyclohexan-1-one
PubChem CID91505396
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name4-(1-ethoxyethenyl)-2,2,6,6-tetramethylcyclohexan-1-one
SMILESC=C(OCC)C1CC(C)(C)C(=O)C(C)(C)C1
InChIInChI=1S/C14H24O2/c1-7-16-10(2)11-8-13(3,4)12(15)14(5,6)9-11/h11H,2,7-9H2,1,3-6H3
InChIKeyFEZGDBDGNVXNCI-UHFFFAOYSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(1-Ethoxyvinyl)-3,3,5,5-tetramethylcyclohexanone
CID 118292
5-(1-Methoxyvinyl)-3,3-dimethylcyclohexanone
CID 24972428
2-(2-Ethoxy-2-propenyl)-2-methylcyclohexanone
CID 24977073
Ethyl 2-[(1-methyl-3-oxocyclohexyl)methyl]pent-4-enoate
CID 101265617
Ethyl 4-methyl-2-[(1-methyl-3-oxocyclohexyl)methyl]pent-4-enoate
CID 101265618
3-(1-Ethoxyethenyl)cyclohexan-1-one
CID 130027305
ethyl (2S)-2-[[(1R)-1-methyl-3-oxocyclohexyl]methyl]pent-4-enoate
CID 135037896
4-(1-Ethoxyethenyl)-2,2,3,3-tetramethylcyclohexan-1-one
CID 23079630
2-(1-Ethoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one
CID 23335055
Ethyl 3-acetyl-1-prop-2-enylcyclohexane-1-carboxylate
CID 58237257
4-(1-Ethoxyethenyl)-1-methylcyclohexane-1-carbaldehyde
CID 59613126
9-(1-Methoxyethenyl)spiro[4.5]decan-10-one
CID 67991708

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxyethenyl)-2,2,6,6-tetramethylcyclohexan-1-one?
The IUPAC name of 4-(1-ethoxyethenyl)-2,2,6,6-tetramethylcyclohexan-1-one (CID 91505396) is 4-(1-ethoxyethenyl)-2,2,6,6-tetramethylcyclohexan-1-one.
What is the SMILES notation for 4-(1-ethoxyethenyl)-2,2,6,6-tetramethylcyclohexan-1-one?
The canonical SMILES for 4-(1-ethoxyethenyl)-2,2,6,6-tetramethylcyclohexan-1-one is C=C(OCC)C1CC(C)(C)C(=O)C(C)(C)C1.
What is the InChIKey of 4-(1-ethoxyethenyl)-2,2,6,6-tetramethylcyclohexan-1-one?
The InChIKey is FEZGDBDGNVXNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-7-16-10(2)11-8-13(3,4)12(15)14(5,6)9-11/h11H,2,7-9H2,1,3-6H3.
What are the key properties of 4-(1-ethoxyethenyl)-2,2,6,6-tetramethylcyclohexan-1-one?
4-(1-ethoxyethenyl)-2,2,6,6-tetramethylcyclohexan-1-one has a molecular weight of 224.34 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxyethenyl)-2,2,6,6-tetramethylcyclohexan-1-one is sourced from PubChem (CID 91505396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).