1-tert-butyl-3-methyl-3,3a,4,6,7,7a-hexahydropyrano[4,3-c][1,2]oxazole

C11H21NO2 — CID 15635301

IUPAC1-tert-butyl-3-methyl-3,3a,4,6,7,7a-hexahydropyrano[4,3-c][1,2]oxazole
SMILESCC1ON(C(C)(C)C)C2CCOCC12
InChIInChI=1S/C11H21NO2/c1-8-9-7-13-6-5-10(9)12(14-8)11(2,3)4/h8-10H,5-7H2,1-4H3
InChIKeyFWPIGZBDIAJWGM-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.83
Rot. Bonds

About 1-tert-butyl-3-methyl-3,3a,4,6,7,7a-hexahydropyrano[4,3-c][1,2]oxazole

1-tert-butyl-3-methyl-3,3a,4,6,7,7a-hexahydropyrano[4,3-c][1,2]oxazole (PubChem CID 15635301) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-tert-butyl-3-methyl-3,3a,4,6,7,7a-hexahydropyrano[4,3-c][1,2]oxazole.

Molecular Properties

Compound Name1-tert-butyl-3-methyl-3,3a,4,6,7,7a-hexahydropyrano[4,3-c][1,2]oxazole
PubChem CID15635301
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-tert-butyl-3-methyl-3,3a,4,6,7,7a-hexahydropyrano[4,3-c][1,2]oxazole
SMILESCC1ON(C(C)(C)C)C2CCOCC12
InChIInChI=1S/C11H21NO2/c1-8-9-7-13-6-5-10(9)12(14-8)11(2,3)4/h8-10H,5-7H2,1-4H3
InChIKeyFWPIGZBDIAJWGM-UHFFFAOYSA-N
XLogP1.83
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methyl-3,3a,4,6,7,7a-hexahydropyrano[4,3-c][1,2]oxazole?
The IUPAC name of 1-tert-butyl-3-methyl-3,3a,4,6,7,7a-hexahydropyrano[4,3-c][1,2]oxazole (CID 15635301) is 1-tert-butyl-3-methyl-3,3a,4,6,7,7a-hexahydropyrano[4,3-c][1,2]oxazole.
What is the SMILES notation for 1-tert-butyl-3-methyl-3,3a,4,6,7,7a-hexahydropyrano[4,3-c][1,2]oxazole?
The canonical SMILES for 1-tert-butyl-3-methyl-3,3a,4,6,7,7a-hexahydropyrano[4,3-c][1,2]oxazole is CC1ON(C(C)(C)C)C2CCOCC12.
What is the InChIKey of 1-tert-butyl-3-methyl-3,3a,4,6,7,7a-hexahydropyrano[4,3-c][1,2]oxazole?
The InChIKey is FWPIGZBDIAJWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8-9-7-13-6-5-10(9)12(14-8)11(2,3)4/h8-10H,5-7H2,1-4H3.
What are the key properties of 1-tert-butyl-3-methyl-3,3a,4,6,7,7a-hexahydropyrano[4,3-c][1,2]oxazole?
1-tert-butyl-3-methyl-3,3a,4,6,7,7a-hexahydropyrano[4,3-c][1,2]oxazole has a molecular weight of 199.29 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methyl-3,3a,4,6,7,7a-hexahydropyrano[4,3-c][1,2]oxazole is sourced from PubChem (CID 15635301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).