1-spiro[4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-6-ylimidazole

C15H20N2O3 — CID 102131999

IUPAC1-spiro[4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-6-ylimidazole
SMILESC1=CC(n2ccnc2)OC2COC3(CCCCC3)OC12
InChIInChI=1S/C15H20N2O3/c1-2-6-15(7-3-1)18-10-13-12(20-15)4-5-14(19-13)17-9-8-16-11-17/h4-5,8-9,11-14H,1-3,6-7,10H2
InChIKeyJYOBNSFFKLUWOO-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.41
Rot. Bonds1

About 1-spiro[4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-6-ylimidazole

1-spiro[4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-6-ylimidazole (PubChem CID 102131999) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-spiro[4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-6-ylimidazole.

Molecular Properties

Compound Name1-spiro[4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-6-ylimidazole
PubChem CID102131999
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-spiro[4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-6-ylimidazole
SMILESC1=CC(n2ccnc2)OC2COC3(CCCCC3)OC12
InChIInChI=1S/C15H20N2O3/c1-2-6-15(7-3-1)18-10-13-12(20-15)4-5-14(19-13)17-9-8-16-11-17/h4-5,8-9,11-14H,1-3,6-7,10H2
InChIKeyJYOBNSFFKLUWOO-UHFFFAOYSA-N
XLogP2.41
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-spiro[4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-6-ylimidazole with MolForge

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Related Compounds

1-(2,2-Ditert-butyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl)imidazole
CID 102131997
1-(2,2-Dimethyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxin-6-yl)imidazole
CID 102132003
1-(2,2-Ditert-butyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxin-6-yl)imidazole
CID 102132006

Frequently Asked Questions

What is the IUPAC name of 1-spiro[4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-6-ylimidazole?
The IUPAC name of 1-spiro[4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-6-ylimidazole (CID 102131999) is 1-spiro[4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-6-ylimidazole.
What is the SMILES notation for 1-spiro[4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-6-ylimidazole?
The canonical SMILES for 1-spiro[4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-6-ylimidazole is C1=CC(n2ccnc2)OC2COC3(CCCCC3)OC12.
What is the InChIKey of 1-spiro[4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-6-ylimidazole?
The InChIKey is JYOBNSFFKLUWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-6-15(7-3-1)18-10-13-12(20-15)4-5-14(19-13)17-9-8-16-11-17/h4-5,8-9,11-14H,1-3,6-7,10H2.
What are the key properties of 1-spiro[4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-6-ylimidazole?
1-spiro[4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-6-ylimidazole has a molecular weight of 276.34 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-spiro[4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-6-ylimidazole is sourced from PubChem (CID 102131999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).