5-(1-methoxyethenyl)-3,3-dimethylcyclohexan-1-one

C11H18O2 — CID 24972428

IUPAC5-(1-methoxyethenyl)-3,3-dimethylcyclohexan-1-one
SMILESC=C(OC)C1CC(=O)CC(C)(C)C1
InChIInChI=1S/C11H18O2/c1-8(13-4)9-5-10(12)7-11(2,3)6-9/h9H,1,5-7H2,2-4H3
InChIKeyCQFCJTKVZCICHU-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.54
Rot. Bonds2

About 5-(1-methoxyethenyl)-3,3-dimethylcyclohexan-1-one

5-(1-methoxyethenyl)-3,3-dimethylcyclohexan-1-one (PubChem CID 24972428) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 5-(1-methoxyethenyl)-3,3-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name5-(1-methoxyethenyl)-3,3-dimethylcyclohexan-1-one
PubChem CID24972428
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name5-(1-methoxyethenyl)-3,3-dimethylcyclohexan-1-one
SMILESC=C(OC)C1CC(=O)CC(C)(C)C1
InChIInChI=1S/C11H18O2/c1-8(13-4)9-5-10(12)7-11(2,3)6-9/h9H,1,5-7H2,2-4H3
InChIKeyCQFCJTKVZCICHU-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
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
2-(2-Ethoxy-2-propenyl)-2-methylcyclohexanone
CID 24977073
3-(1-Ethoxyethenyl)cyclohexan-1-one
CID 130027305
4-(1-Ethoxyethenyl)-2,2,3,3-tetramethylcyclohexan-1-one
CID 23079630
9-(1-Methoxyethenyl)spiro[4.5]decan-10-one
CID 67991708
4-(1-Ethoxyethenyl)-2,2,6,6-tetramethylcyclohexan-1-one
CID 91505396
4-(1-Methoxyethenyl)cyclohexan-1-one
CID 123611307
3-(2-Ethoxyprop-2-enyl)-3,5,5-trimethylcyclohexan-1-one
CID 141089272
4-But-1-enoxy-3,3,5,5-tetramethylcyclohexan-1-one
CID 141354535
4-(1-Methoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one
CID 142762272
4-(1-Ethoxyethenyl)-4-methylcyclohexan-1-one
CID 144337284
4-(1-Ethoxyethenyl)cyclohexan-1-one
CID 153571788

Frequently Asked Questions

What is the IUPAC name of 5-(1-methoxyethenyl)-3,3-dimethylcyclohexan-1-one?
The IUPAC name of 5-(1-methoxyethenyl)-3,3-dimethylcyclohexan-1-one (CID 24972428) is 5-(1-methoxyethenyl)-3,3-dimethylcyclohexan-1-one.
What is the SMILES notation for 5-(1-methoxyethenyl)-3,3-dimethylcyclohexan-1-one?
The canonical SMILES for 5-(1-methoxyethenyl)-3,3-dimethylcyclohexan-1-one is C=C(OC)C1CC(=O)CC(C)(C)C1.
What is the InChIKey of 5-(1-methoxyethenyl)-3,3-dimethylcyclohexan-1-one?
The InChIKey is CQFCJTKVZCICHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-8(13-4)9-5-10(12)7-11(2,3)6-9/h9H,1,5-7H2,2-4H3.
What are the key properties of 5-(1-methoxyethenyl)-3,3-dimethylcyclohexan-1-one?
5-(1-methoxyethenyl)-3,3-dimethylcyclohexan-1-one has a molecular weight of 182.26 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methoxyethenyl)-3,3-dimethylcyclohexan-1-one is sourced from PubChem (CID 24972428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).