2-methoxy-4,4,6,6-tetramethylcyclohex-2-en-1-one

C11H18O2 — CID 23264733

IUPAC2-methoxy-4,4,6,6-tetramethylcyclohex-2-en-1-one
SMILESCOC1=CC(C)(C)CC(C)(C)C1=O
InChIInChI=1S/C11H18O2/c1-10(2)6-8(13-5)9(12)11(3,4)7-10/h6H,7H2,1-5H3
InChIKeyWWMRMTOLODXSET-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.54
Rot. Bonds1

About 2-methoxy-4,4,6,6-tetramethylcyclohex-2-en-1-one

2-methoxy-4,4,6,6-tetramethylcyclohex-2-en-1-one (PubChem CID 23264733) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-methoxy-4,4,6,6-tetramethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name2-methoxy-4,4,6,6-tetramethylcyclohex-2-en-1-one
PubChem CID23264733
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-methoxy-4,4,6,6-tetramethylcyclohex-2-en-1-one
SMILESCOC1=CC(C)(C)CC(C)(C)C1=O
InChIInChI=1S/C11H18O2/c1-10(2)6-8(13-5)9(12)11(3,4)7-10/h6H,7H2,1-5H3
InChIKeyWWMRMTOLODXSET-UHFFFAOYSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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

Analyze 2-methoxy-4,4,6,6-tetramethylcyclohex-2-en-1-one with MolForge

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Related Compounds

2-isocyano-4,4,6,6-tetramethylcyclohex-2-en-1-one
CID 58388207
3,3,5,5-tetramethyl-4H-pyridin-2-one
CID 141131117
3-methoxy-5,5-dimethyl-3-(methylaminomethyl)-6-oxocyclohexene-1-carbonitrile
CID 162442238
3-methoxy-4-methyliminocyclohex-2-en-1-one
CID 143182781
3-ethoxy-5,5-dimethylcyclohex-3-ene-1,2-dione
CID 54369437
4,7-dimethoxy-2,2-dimethyl-3H-inden-1-one
CID 18614118
(4S)-4-hydroxy-3-methoxy-2,6,6-trimethylcyclohex-2-en-1-one
CID 58913849
(4aS,7R)-3-methoxy-4a-methyl-7-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-one
CID 7123276
4-methoxycyclopent-4-ene-1,3-dione
CID 12695576
2-iodo-4,4-dimethylcyclopent-2-en-1-one
CID 22002644
(1S)-3-methoxy-1,7,8-trimethylbicyclo[4.2.0]oct-3-ene-2,5-dione
CID 5314443
2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one
CID 70873388

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,4,6,6-tetramethylcyclohex-2-en-1-one?
The IUPAC name of 2-methoxy-4,4,6,6-tetramethylcyclohex-2-en-1-one (CID 23264733) is 2-methoxy-4,4,6,6-tetramethylcyclohex-2-en-1-one.
What is the SMILES notation for 2-methoxy-4,4,6,6-tetramethylcyclohex-2-en-1-one?
The canonical SMILES for 2-methoxy-4,4,6,6-tetramethylcyclohex-2-en-1-one is COC1=CC(C)(C)CC(C)(C)C1=O.
What is the InChIKey of 2-methoxy-4,4,6,6-tetramethylcyclohex-2-en-1-one?
The InChIKey is WWMRMTOLODXSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-10(2)6-8(13-5)9(12)11(3,4)7-10/h6H,7H2,1-5H3.
What are the key properties of 2-methoxy-4,4,6,6-tetramethylcyclohex-2-en-1-one?
2-methoxy-4,4,6,6-tetramethylcyclohex-2-en-1-one has a molecular weight of 182.26 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,4,6,6-tetramethylcyclohex-2-en-1-one is sourced from PubChem (CID 23264733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).