7a-tert-butyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole

C9H17NO2 — CID 66903770

IUPAC7a-tert-butyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
SMILESCC(C)(C)C12COCN1COC2
InChIInChI=1S/C9H17NO2/c1-8(2,3)9-4-11-6-10(9)7-12-5-9/h4-7H2,1-3H3
InChIKeyHDCJCGXDWDFUNY-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.05
Rot. Bonds

About 7a-tert-butyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole

7a-tert-butyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole (PubChem CID 66903770) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 7a-tert-butyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole.

Molecular Properties

Compound Name7a-tert-butyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
PubChem CID66903770
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name7a-tert-butyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
SMILESCC(C)(C)C12COCN1COC2
InChIInChI=1S/C9H17NO2/c1-8(2,3)9-4-11-6-10(9)7-12-5-9/h4-7H2,1-3H3
InChIKeyHDCJCGXDWDFUNY-UHFFFAOYSA-N
XLogP1.05
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7a-tert-butyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
The IUPAC name of 7a-tert-butyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole (CID 66903770) is 7a-tert-butyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole.
What is the SMILES notation for 7a-tert-butyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
The canonical SMILES for 7a-tert-butyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole is CC(C)(C)C12COCN1COC2.
What is the InChIKey of 7a-tert-butyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
The InChIKey is HDCJCGXDWDFUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(2,3)9-4-11-6-10(9)7-12-5-9/h4-7H2,1-3H3.
What are the key properties of 7a-tert-butyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
7a-tert-butyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole has a molecular weight of 171.24 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-tert-butyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole is sourced from PubChem (CID 66903770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).