(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl-dimethylazanium

C11H20NO2+ — CID 101353562

IUPAC(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl-dimethylazanium
SMILESC[NH+](C)CC1=C(O)CC(C)(C)CC1=O
InChIInChI=1S/C11H19NO2/c1-11(2)5-9(13)8(7-12(3)4)10(14)6-11/h13H,5-7H2,1-4H3/p+1
InChIKeyDFNYATILUDHLJB-UHFFFAOYSA-O
MW198.29 g/mol
LogP0.33
Rot. Bonds2

About (2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl-dimethylazanium

(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl-dimethylazanium (PubChem CID 101353562) has the molecular formula C11H20NO2+ and a molecular weight of 198.29 g/mol. Its IUPAC name is (2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl-dimethylazanium.

Molecular Properties

Compound Name(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl-dimethylazanium
PubChem CID101353562
Molecular FormulaC11H20NO2+
Molecular Weight198.29 g/mol
Exact Mass198.15
IUPAC Name(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl-dimethylazanium
SMILESC[NH+](C)CC1=C(O)CC(C)(C)CC1=O
InChIInChI=1S/C11H19NO2/c1-11(2)5-9(13)8(7-12(3)4)10(14)6-11/h13H,5-7H2,1-4H3/p+1
InChIKeyDFNYATILUDHLJB-UHFFFAOYSA-O
XLogP0.33
TPSA41.74 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl-dimethylazanium?
The IUPAC name of (2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl-dimethylazanium (CID 101353562) is (2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl-dimethylazanium.
What is the SMILES notation for (2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl-dimethylazanium?
The canonical SMILES for (2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl-dimethylazanium is C[NH+](C)CC1=C(O)CC(C)(C)CC1=O.
What is the InChIKey of (2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl-dimethylazanium?
The InChIKey is DFNYATILUDHLJB-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H19NO2/c1-11(2)5-9(13)8(7-12(3)4)10(14)6-11/h13H,5-7H2,1-4H3/p+1.
What are the key properties of (2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl-dimethylazanium?
(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl-dimethylazanium has a molecular weight of 198.29 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl-dimethylazanium is sourced from PubChem (CID 101353562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).