3,3-dimethyl-4,4a,5,7,8,8a-hexahydro-2H-pyrano[4,3-b][1,4]oxazine

C9H17NO2 — CID 43608947

IUPAC3,3-dimethyl-4,4a,5,7,8,8a-hexahydro-2H-pyrano[4,3-b][1,4]oxazine
SMILESCC1(C)COC2CCOCC2N1
InChIInChI=1S/C9H17NO2/c1-9(2)6-12-8-3-4-11-5-7(8)10-9/h7-8,10H,3-6H2,1-2H3
InChIKeyQOPZVWQFBYLHHA-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.54
Rot. Bonds

About 3,3-dimethyl-4,4a,5,7,8,8a-hexahydro-2H-pyrano[4,3-b][1,4]oxazine

3,3-dimethyl-4,4a,5,7,8,8a-hexahydro-2H-pyrano[4,3-b][1,4]oxazine (PubChem CID 43608947) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3,3-dimethyl-4,4a,5,7,8,8a-hexahydro-2H-pyrano[4,3-b][1,4]oxazine.

Molecular Properties

Compound Name3,3-dimethyl-4,4a,5,7,8,8a-hexahydro-2H-pyrano[4,3-b][1,4]oxazine
PubChem CID43608947
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3,3-dimethyl-4,4a,5,7,8,8a-hexahydro-2H-pyrano[4,3-b][1,4]oxazine
SMILESCC1(C)COC2CCOCC2N1
InChIInChI=1S/C9H17NO2/c1-9(2)6-12-8-3-4-11-5-7(8)10-9/h7-8,10H,3-6H2,1-2H3
InChIKeyQOPZVWQFBYLHHA-UHFFFAOYSA-N
XLogP0.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-4,4a,5,7,8,8a-hexahydro-2H-pyrano[4,3-b][1,4]oxazine with MolForge

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Related Compounds

3,3-dimethyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 43366931
4,4-dimethyl-2-(oxolan-3-ylmethyl)-1,3-oxazolidine;hydrochloride
CID 117227699
2,2-diethyl-4,4a,5,7,8,8a-hexahydro-3H-pyrano[4,3-b][1,4]oxazine
CID 65102498
2-ethyl-2-methyl-4,4a,5,7,8,8a-hexahydro-3H-pyrano[4,3-b][1,4]oxazine
CID 65102215
3,4,5,5a,6,8,9,9a-octahydro-2H-pyrano[4,3-b][1,4]oxazepine
CID 43608951
(4aS,8aR)-3,3,7,7-tetramethyl-2,4,4a,6,8,8a-hexahydro-[1,4]oxazino[3,2-b][1,4]oxazine
CID 139225414
(2R)-2-[(2S)-4,4-dimethyl-1,3-oxazolidin-2-yl]-4,4-dimethyl-1,3-oxazolidine
CID 139225415
(4aR,7aS)-3,3-dimethyl-2,4,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine
CID 66800124
(2R,4aR,8aS)-2-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b][1,4]oxazine
CID 93219310
(2R,4aS,8aS)-2-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b][1,4]oxazine
CID 93219314
5,9-dioxa-2-azabicyclo[6.2.0]decane
CID 122672123
2-cyclobutyl-4,4-dimethyl-1,3-oxazolidine
CID 117228568

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4,4a,5,7,8,8a-hexahydro-2H-pyrano[4,3-b][1,4]oxazine?
The IUPAC name of 3,3-dimethyl-4,4a,5,7,8,8a-hexahydro-2H-pyrano[4,3-b][1,4]oxazine (CID 43608947) is 3,3-dimethyl-4,4a,5,7,8,8a-hexahydro-2H-pyrano[4,3-b][1,4]oxazine.
What is the SMILES notation for 3,3-dimethyl-4,4a,5,7,8,8a-hexahydro-2H-pyrano[4,3-b][1,4]oxazine?
The canonical SMILES for 3,3-dimethyl-4,4a,5,7,8,8a-hexahydro-2H-pyrano[4,3-b][1,4]oxazine is CC1(C)COC2CCOCC2N1.
What is the InChIKey of 3,3-dimethyl-4,4a,5,7,8,8a-hexahydro-2H-pyrano[4,3-b][1,4]oxazine?
The InChIKey is QOPZVWQFBYLHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-9(2)6-12-8-3-4-11-5-7(8)10-9/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 3,3-dimethyl-4,4a,5,7,8,8a-hexahydro-2H-pyrano[4,3-b][1,4]oxazine?
3,3-dimethyl-4,4a,5,7,8,8a-hexahydro-2H-pyrano[4,3-b][1,4]oxazine has a molecular weight of 171.24 g/mol, XLogP of 0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4,4a,5,7,8,8a-hexahydro-2H-pyrano[4,3-b][1,4]oxazine is sourced from PubChem (CID 43608947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).