3,4-dimethyl-2,3a,4,6,7,7a-hexahydropyrano[3,4-d][1,3]oxazole

C8H15NO2 — CID 143275634

IUPAC3,4-dimethyl-2,3a,4,6,7,7a-hexahydropyrano[3,4-d][1,3]oxazole
SMILESCC1OCCC2OCN(C)C12
InChIInChI=1S/C8H15NO2/c1-6-8-7(3-4-10-6)11-5-9(8)2/h6-8H,3-5H2,1-2H3
InChIKeyLXPYISNAHJCIIF-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.45
Rot. Bonds

About 3,4-dimethyl-2,3a,4,6,7,7a-hexahydropyrano[3,4-d][1,3]oxazole

3,4-dimethyl-2,3a,4,6,7,7a-hexahydropyrano[3,4-d][1,3]oxazole (PubChem CID 143275634) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3,4-dimethyl-2,3a,4,6,7,7a-hexahydropyrano[3,4-d][1,3]oxazole.

Molecular Properties

Compound Name3,4-dimethyl-2,3a,4,6,7,7a-hexahydropyrano[3,4-d][1,3]oxazole
PubChem CID143275634
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3,4-dimethyl-2,3a,4,6,7,7a-hexahydropyrano[3,4-d][1,3]oxazole
SMILESCC1OCCC2OCN(C)C12
InChIInChI=1S/C8H15NO2/c1-6-8-7(3-4-10-6)11-5-9(8)2/h6-8H,3-5H2,1-2H3
InChIKeyLXPYISNAHJCIIF-UHFFFAOYSA-N
XLogP0.45
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2,3a,4,6,7,7a-hexahydropyrano[3,4-d][1,3]oxazole?
The IUPAC name of 3,4-dimethyl-2,3a,4,6,7,7a-hexahydropyrano[3,4-d][1,3]oxazole (CID 143275634) is 3,4-dimethyl-2,3a,4,6,7,7a-hexahydropyrano[3,4-d][1,3]oxazole.
What is the SMILES notation for 3,4-dimethyl-2,3a,4,6,7,7a-hexahydropyrano[3,4-d][1,3]oxazole?
The canonical SMILES for 3,4-dimethyl-2,3a,4,6,7,7a-hexahydropyrano[3,4-d][1,3]oxazole is CC1OCCC2OCN(C)C12.
What is the InChIKey of 3,4-dimethyl-2,3a,4,6,7,7a-hexahydropyrano[3,4-d][1,3]oxazole?
The InChIKey is LXPYISNAHJCIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6-8-7(3-4-10-6)11-5-9(8)2/h6-8H,3-5H2,1-2H3.
What are the key properties of 3,4-dimethyl-2,3a,4,6,7,7a-hexahydropyrano[3,4-d][1,3]oxazole?
3,4-dimethyl-2,3a,4,6,7,7a-hexahydropyrano[3,4-d][1,3]oxazole has a molecular weight of 157.21 g/mol, XLogP of 0.45, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2,3a,4,6,7,7a-hexahydropyrano[3,4-d][1,3]oxazole is sourced from PubChem (CID 143275634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).