6-tert-butyl-6-methyl-1,3-oxazinan-2-one

C9H17NO2 — CID 105434756

IUPAC6-tert-butyl-6-methyl-1,3-oxazinan-2-one
SMILESCC(C)(C)C1(C)CCNC(=O)O1
InChIInChI=1S/C9H17NO2/c1-8(2,3)9(4)5-6-10-7(11)12-9/h5-6H2,1-4H3,(H,10,11)
InChIKeyDPOGXCASJZWVHU-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.92
Rot. Bonds

About 6-tert-butyl-6-methyl-1,3-oxazinan-2-one

6-tert-butyl-6-methyl-1,3-oxazinan-2-one (PubChem CID 105434756) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 6-tert-butyl-6-methyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name6-tert-butyl-6-methyl-1,3-oxazinan-2-one
PubChem CID105434756
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name6-tert-butyl-6-methyl-1,3-oxazinan-2-one
SMILESCC(C)(C)C1(C)CCNC(=O)O1
InChIInChI=1S/C9H17NO2/c1-8(2,3)9(4)5-6-10-7(11)12-9/h5-6H2,1-4H3,(H,10,11)
InChIKeyDPOGXCASJZWVHU-UHFFFAOYSA-N
XLogP1.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1'S,5'R)-spiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one
CID 129499691
11-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 45092429
ethyl (2S)-2-[(6S)-6-methyl-2-oxo-1,3-oxazinan-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 11065616
5-methoxy-6,6-dimethyl-1,3-oxazinan-2-one
CID 58464075
10,10-dioxo-1-oxa-10λ6-thia-3-azaspiro[5.6]dodecan-2-one
CID 84796178
ethane;3-fluoro-3-methylpyrrolidin-2-one
CID 164536225
6a-tert-butyl-3a,4-dihydro-3H-furo[2,3-b]furan-2,5-dione
CID 138967150
(5R)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 99645109
5-(chloromethyl)-5-methyl-1,3-oxazolidin-2-one
CID 14698772
3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-7-one
CID 132549867
2,8,8-trimethyl-7-oxa-5-azaspiro[3.4]octan-6-one
CID 166026899
(2S,4R,5S)-3,4-dihydroxy-2-methyl-1-oxa-7-azaspiro[4.4]nonan-6-one
CID 88976596

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-6-methyl-1,3-oxazinan-2-one?
The IUPAC name of 6-tert-butyl-6-methyl-1,3-oxazinan-2-one (CID 105434756) is 6-tert-butyl-6-methyl-1,3-oxazinan-2-one.
What is the SMILES notation for 6-tert-butyl-6-methyl-1,3-oxazinan-2-one?
The canonical SMILES for 6-tert-butyl-6-methyl-1,3-oxazinan-2-one is CC(C)(C)C1(C)CCNC(=O)O1.
What is the InChIKey of 6-tert-butyl-6-methyl-1,3-oxazinan-2-one?
The InChIKey is DPOGXCASJZWVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(2,3)9(4)5-6-10-7(11)12-9/h5-6H2,1-4H3,(H,10,11).
What are the key properties of 6-tert-butyl-6-methyl-1,3-oxazinan-2-one?
6-tert-butyl-6-methyl-1,3-oxazinan-2-one has a molecular weight of 171.24 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-6-methyl-1,3-oxazinan-2-one is sourced from PubChem (CID 105434756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).