4,4-dimethoxy-2,3-dimethylcyclohex-2-en-1-one

C10H16O3 — CID 102227138

IUPAC4,4-dimethoxy-2,3-dimethylcyclohex-2-en-1-one
SMILESCOC1(OC)CCC(=O)C(C)=C1C
InChIInChI=1S/C10H16O3/c1-7-8(2)10(12-3,13-4)6-5-9(7)11/h5-6H2,1-4H3
InChIKeyFVNXUGXZMCXTAD-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.67
Rot. Bonds2

About 4,4-dimethoxy-2,3-dimethylcyclohex-2-en-1-one

4,4-dimethoxy-2,3-dimethylcyclohex-2-en-1-one (PubChem CID 102227138) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 4,4-dimethoxy-2,3-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name4,4-dimethoxy-2,3-dimethylcyclohex-2-en-1-one
PubChem CID102227138
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name4,4-dimethoxy-2,3-dimethylcyclohex-2-en-1-one
SMILESCOC1(OC)CCC(=O)C(C)=C1C
InChIInChI=1S/C10H16O3/c1-7-8(2)10(12-3,13-4)6-5-9(7)11/h5-6H2,1-4H3
InChIKeyFVNXUGXZMCXTAD-UHFFFAOYSA-N
XLogP1.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Methyl 2-methyl-3-oxocyclohex-1-ene-1-carboxylate
CID 11041105
1-(Methoxymethoxy)-1,2,3,5,6,7,8,9-octahydrobenzo[7]annulen-4-one
CID 101599445
7,7-Dimethoxybicyclo[4.2.0]oct-1(6)-en-2-one
CID 12382250
Methyl 3-methyl-7-oxo-4,5,6,7,8,9-hexahydro-1H-benzo[7]annulene-2-carboxylate
CID 73330307
4,4-Dimethoxy-3-methylcyclohex-2-en-1-one
CID 130030252
4,4-Dimethoxy-2-methylcyclohex-2-en-1-one
CID 130030253
3,4,4-Trimethoxy-2-methylcyclohex-2-en-1-one
CID 134987628
7,7-Diethoxybicyclo[4.2.0]oct-1(6)-en-2-one
CID 135083075
4,4-Dimethoxy-3,5-dimethylcyclohex-2-en-1-one
CID 118674605
Methyl 2-methyl-5-oxocyclohexene-1-carboxylate
CID 142933051
4,4-Dimethoxy-2-methyl-3-propylcyclobut-2-en-1-one
CID 10442388
4,4-Dimethoxy-5,6,7,8-tetrahydronaphthalen-1(4H)-one
CID 12606587

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethoxy-2,3-dimethylcyclohex-2-en-1-one?
The IUPAC name of 4,4-dimethoxy-2,3-dimethylcyclohex-2-en-1-one (CID 102227138) is 4,4-dimethoxy-2,3-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 4,4-dimethoxy-2,3-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 4,4-dimethoxy-2,3-dimethylcyclohex-2-en-1-one is COC1(OC)CCC(=O)C(C)=C1C.
What is the InChIKey of 4,4-dimethoxy-2,3-dimethylcyclohex-2-en-1-one?
The InChIKey is FVNXUGXZMCXTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-7-8(2)10(12-3,13-4)6-5-9(7)11/h5-6H2,1-4H3.
What are the key properties of 4,4-dimethoxy-2,3-dimethylcyclohex-2-en-1-one?
4,4-dimethoxy-2,3-dimethylcyclohex-2-en-1-one has a molecular weight of 184.23 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethoxy-2,3-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 102227138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).