1-(2,2-dimethyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxin-6-yl)imidazole

C12H16N2O3 — CID 102132003

IUPAC1-(2,2-dimethyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxin-6-yl)imidazole
SMILESCC1(C)OCC2OC(n3ccnc3)C=CC2O1
InChIInChI=1S/C12H16N2O3/c1-12(2)15-7-10-9(17-12)3-4-11(16-10)14-6-5-13-8-14/h3-6,8-11H,7H2,1-2H3
InChIKeyMRWRQGHIOHFMNF-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.49
Rot. Bonds1

About 1-(2,2-dimethyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxin-6-yl)imidazole

1-(2,2-dimethyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxin-6-yl)imidazole (PubChem CID 102132003) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(2,2-dimethyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxin-6-yl)imidazole.

Molecular Properties

Compound Name1-(2,2-dimethyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxin-6-yl)imidazole
PubChem CID102132003
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name1-(2,2-dimethyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxin-6-yl)imidazole
SMILESCC1(C)OCC2OC(n3ccnc3)C=CC2O1
InChIInChI=1S/C12H16N2O3/c1-12(2)15-7-10-9(17-12)3-4-11(16-10)14-6-5-13-8-14/h3-6,8-11H,7H2,1-2H3
InChIKeyMRWRQGHIOHFMNF-UHFFFAOYSA-N
XLogP1.49
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxin-6-yl)imidazole?
The IUPAC name of 1-(2,2-dimethyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxin-6-yl)imidazole (CID 102132003) is 1-(2,2-dimethyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxin-6-yl)imidazole.
What is the SMILES notation for 1-(2,2-dimethyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxin-6-yl)imidazole?
The canonical SMILES for 1-(2,2-dimethyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxin-6-yl)imidazole is CC1(C)OCC2OC(n3ccnc3)C=CC2O1.
What is the InChIKey of 1-(2,2-dimethyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxin-6-yl)imidazole?
The InChIKey is MRWRQGHIOHFMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-12(2)15-7-10-9(17-12)3-4-11(16-10)14-6-5-13-8-14/h3-6,8-11H,7H2,1-2H3.
What are the key properties of 1-(2,2-dimethyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxin-6-yl)imidazole?
1-(2,2-dimethyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxin-6-yl)imidazole has a molecular weight of 236.27 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxin-6-yl)imidazole is sourced from PubChem (CID 102132003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).