2-(5,5-dimethyl-1,3-dioxan-2-yl)-1-methylimidazole

C10H16N2O2 — CID 69430662

IUPAC2-(5,5-dimethyl-1,3-dioxan-2-yl)-1-methylimidazole
SMILESCn1ccnc1C1OCC(C)(C)CO1
InChIInChI=1S/C10H16N2O2/c1-10(2)6-13-9(14-7-10)8-11-4-5-12(8)3/h4-5,9H,6-7H2,1-3H3
InChIKeySDXBWMDXRPQBGR-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.49
Rot. Bonds1

About 2-(5,5-dimethyl-1,3-dioxan-2-yl)-1-methylimidazole

2-(5,5-dimethyl-1,3-dioxan-2-yl)-1-methylimidazole (PubChem CID 69430662) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(5,5-dimethyl-1,3-dioxan-2-yl)-1-methylimidazole.

Molecular Properties

Compound Name2-(5,5-dimethyl-1,3-dioxan-2-yl)-1-methylimidazole
PubChem CID69430662
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-(5,5-dimethyl-1,3-dioxan-2-yl)-1-methylimidazole
SMILESCn1ccnc1C1OCC(C)(C)CO1
InChIInChI=1S/C10H16N2O2/c1-10(2)6-13-9(14-7-10)8-11-4-5-12(8)3/h4-5,9H,6-7H2,1-3H3
InChIKeySDXBWMDXRPQBGR-UHFFFAOYSA-N
XLogP1.49
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethyl-1,3-dioxan-2-yl)-1-methylimidazole?
The IUPAC name of 2-(5,5-dimethyl-1,3-dioxan-2-yl)-1-methylimidazole (CID 69430662) is 2-(5,5-dimethyl-1,3-dioxan-2-yl)-1-methylimidazole.
What is the SMILES notation for 2-(5,5-dimethyl-1,3-dioxan-2-yl)-1-methylimidazole?
The canonical SMILES for 2-(5,5-dimethyl-1,3-dioxan-2-yl)-1-methylimidazole is Cn1ccnc1C1OCC(C)(C)CO1.
What is the InChIKey of 2-(5,5-dimethyl-1,3-dioxan-2-yl)-1-methylimidazole?
The InChIKey is SDXBWMDXRPQBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-10(2)6-13-9(14-7-10)8-11-4-5-12(8)3/h4-5,9H,6-7H2,1-3H3.
What are the key properties of 2-(5,5-dimethyl-1,3-dioxan-2-yl)-1-methylimidazole?
2-(5,5-dimethyl-1,3-dioxan-2-yl)-1-methylimidazole has a molecular weight of 196.25 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethyl-1,3-dioxan-2-yl)-1-methylimidazole is sourced from PubChem (CID 69430662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).