6-methoxy-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine

C12H22O4 — CID 20643516

IUPAC6-methoxy-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
SMILESCOC1OC2COC(C)(C)OC2C(C)C1C
InChIInChI=1S/C12H22O4/c1-7-8(2)11(13-5)15-9-6-14-12(3,4)16-10(7)9/h7-11H,6H2,1-5H3
InChIKeyAGLHBTAUDDZNMO-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.78
Rot. Bonds1

About 6-methoxy-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine

6-methoxy-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine (PubChem CID 20643516) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 6-methoxy-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine.

Molecular Properties

Compound Name6-methoxy-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
PubChem CID20643516
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name6-methoxy-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
SMILESCOC1OC2COC(C)(C)OC2C(C)C1C
InChIInChI=1S/C12H22O4/c1-7-8(2)11(13-5)15-9-6-14-12(3,4)16-10(7)9/h7-11H,6H2,1-5H3
InChIKeyAGLHBTAUDDZNMO-UHFFFAOYSA-N
XLogP1.78
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methoxy-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
The IUPAC name of 6-methoxy-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine (CID 20643516) is 6-methoxy-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine.
What is the SMILES notation for 6-methoxy-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
The canonical SMILES for 6-methoxy-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine is COC1OC2COC(C)(C)OC2C(C)C1C.
What is the InChIKey of 6-methoxy-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
The InChIKey is AGLHBTAUDDZNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-7-8(2)11(13-5)15-9-6-14-12(3,4)16-10(7)9/h7-11H,6H2,1-5H3.
What are the key properties of 6-methoxy-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
6-methoxy-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine has a molecular weight of 230.30 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine is sourced from PubChem (CID 20643516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).