3,3,7,7,9a-pentamethyl-2,4,6,8-tetrahydro-[1,3]oxazino[2,3-b][1,3]oxazine

C12H23NO2 — CID 24755566

IUPAC3,3,7,7,9a-pentamethyl-2,4,6,8-tetrahydro-[1,3]oxazino[2,3-b][1,3]oxazine
SMILESCC1(C)COC2(C)OCC(C)(C)CN2C1
InChIInChI=1S/C12H23NO2/c1-10(2)6-13-7-11(3,4)9-15-12(13,5)14-8-10/h6-9H2,1-5H3
InChIKeyHXCGBGUJRISVDD-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.07
Rot. Bonds

About 3,3,7,7,9a-pentamethyl-2,4,6,8-tetrahydro-[1,3]oxazino[2,3-b][1,3]oxazine

3,3,7,7,9a-pentamethyl-2,4,6,8-tetrahydro-[1,3]oxazino[2,3-b][1,3]oxazine (PubChem CID 24755566) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3,3,7,7,9a-pentamethyl-2,4,6,8-tetrahydro-[1,3]oxazino[2,3-b][1,3]oxazine.

Molecular Properties

Compound Name3,3,7,7,9a-pentamethyl-2,4,6,8-tetrahydro-[1,3]oxazino[2,3-b][1,3]oxazine
PubChem CID24755566
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3,3,7,7,9a-pentamethyl-2,4,6,8-tetrahydro-[1,3]oxazino[2,3-b][1,3]oxazine
SMILESCC1(C)COC2(C)OCC(C)(C)CN2C1
InChIInChI=1S/C12H23NO2/c1-10(2)6-13-7-11(3,4)9-15-12(13,5)14-8-10/h6-9H2,1-5H3
InChIKeyHXCGBGUJRISVDD-UHFFFAOYSA-N
XLogP2.07
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,7,7,9a-pentamethyl-2,4,6,8-tetrahydro-[1,3]oxazino[2,3-b][1,3]oxazine?
The IUPAC name of 3,3,7,7,9a-pentamethyl-2,4,6,8-tetrahydro-[1,3]oxazino[2,3-b][1,3]oxazine (CID 24755566) is 3,3,7,7,9a-pentamethyl-2,4,6,8-tetrahydro-[1,3]oxazino[2,3-b][1,3]oxazine.
What is the SMILES notation for 3,3,7,7,9a-pentamethyl-2,4,6,8-tetrahydro-[1,3]oxazino[2,3-b][1,3]oxazine?
The canonical SMILES for 3,3,7,7,9a-pentamethyl-2,4,6,8-tetrahydro-[1,3]oxazino[2,3-b][1,3]oxazine is CC1(C)COC2(C)OCC(C)(C)CN2C1.
What is the InChIKey of 3,3,7,7,9a-pentamethyl-2,4,6,8-tetrahydro-[1,3]oxazino[2,3-b][1,3]oxazine?
The InChIKey is HXCGBGUJRISVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(2)6-13-7-11(3,4)9-15-12(13,5)14-8-10/h6-9H2,1-5H3.
What are the key properties of 3,3,7,7,9a-pentamethyl-2,4,6,8-tetrahydro-[1,3]oxazino[2,3-b][1,3]oxazine?
3,3,7,7,9a-pentamethyl-2,4,6,8-tetrahydro-[1,3]oxazino[2,3-b][1,3]oxazine has a molecular weight of 213.32 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,7,7,9a-pentamethyl-2,4,6,8-tetrahydro-[1,3]oxazino[2,3-b][1,3]oxazine is sourced from PubChem (CID 24755566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).