8-tert-butyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine

C15H21NO2 — CID 115825492

IUPAC8-tert-butyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine
SMILESCC(C)(C)c1ccc2c(c1)NC1COCCC1O2
InChIInChI=1S/C15H21NO2/c1-15(2,3)10-4-5-13-11(8-10)16-12-9-17-7-6-14(12)18-13/h4-5,8,12,14,16H,6-7,9H2,1-3H3
InChIKeyHGWLTMMHMINSSY-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.95
Rot. Bonds

About 8-tert-butyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine

8-tert-butyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine (PubChem CID 115825492) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 8-tert-butyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine.

Molecular Properties

Compound Name8-tert-butyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine
PubChem CID115825492
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name8-tert-butyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine
SMILESCC(C)(C)c1ccc2c(c1)NC1COCCC1O2
InChIInChI=1S/C15H21NO2/c1-15(2,3)10-4-5-13-11(8-10)16-12-9-17-7-6-14(12)18-13/h4-5,8,12,14,16H,6-7,9H2,1-3H3
InChIKeyHGWLTMMHMINSSY-UHFFFAOYSA-N
XLogP2.95
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine
CID 115825530
8-tert-butyl-2-methyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
CID 115825490
6-methyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine
CID 115825726
(6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine
CID 84623706
(1S,3aR,9aS)-7-tert-butyl-1-[4-(trifluoromethyl)phenyl]-3,3a,9,9a-tetrahydro-1H-cyclopenta[b][1,4]benzoxazin-2-one
CID 71505773
10,18-ditert-butyl-2,6-dioxa-13,15-diazatetracyclo[14.4.0.03,5.07,12]icosa-1(16),7(12),8,10,13,14,17,19-octaene
CID 88599108
8-fluoro-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
CID 84620876
2-fluoro-6,7,8,9,10,11,11a,12-octahydro-5aH-cycloocta[b][1,4]benzoxazine
CID 115825695
6-tert-butyl-2-(cyclopentylmethyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 103159145
2-(6-tert-butyl-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetic acid
CID 84639220
2,2,8-trimethyl-1,3,4,4a,10,10a-hexahydrophenoxazine
CID 115825597
8-chloro-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
CID 115825541

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine?
The IUPAC name of 8-tert-butyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine (CID 115825492) is 8-tert-butyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine.
What is the SMILES notation for 8-tert-butyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine?
The canonical SMILES for 8-tert-butyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine is CC(C)(C)c1ccc2c(c1)NC1COCCC1O2.
What is the InChIKey of 8-tert-butyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine?
The InChIKey is HGWLTMMHMINSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(2,3)10-4-5-13-11(8-10)16-12-9-17-7-6-14(12)18-13/h4-5,8,12,14,16H,6-7,9H2,1-3H3.
What are the key properties of 8-tert-butyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine?
8-tert-butyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine has a molecular weight of 247.34 g/mol, XLogP of 2.95, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine is sourced from PubChem (CID 115825492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).