1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)ethanol

C9H17NO2 — CID 130123661

IUPAC1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)ethanol
SMILESCC1CC(C)(C)N=C(C(C)O)O1
InChIInChI=1S/C9H17NO2/c1-6-5-9(3,4)10-8(12-6)7(2)11/h6-7,11H,5H2,1-4H3
InChIKeyWEQNCRXUGNONBQ-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.35
Rot. Bonds1

About 1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)ethanol

1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)ethanol (PubChem CID 130123661) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)ethanol.

Molecular Properties

Compound Name1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)ethanol
PubChem CID130123661
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)ethanol
SMILESCC1CC(C)(C)N=C(C(C)O)O1
InChIInChI=1S/C9H17NO2/c1-6-5-9(3,4)10-8(12-6)7(2)11/h6-7,11H,5H2,1-4H3
InChIKeyWEQNCRXUGNONBQ-UHFFFAOYSA-N
XLogP1.35
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-2,4,4,6-tetramethyl-5,6-dihydro-1,3-oxazine
CID 7004113
4,4,6-trimethyl-2-propan-2-ylsulfanyl-5,6-dihydro-1,3-oxazine;hydroiodide
CID 44657089
[fluoro-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)methyl]-triphenylphosphanium bromide
CID 71600740
4,4,6-trimethyl-2-(1-phenylethenyl)-5,6-dihydro-1,3-oxazine
CID 14810340
2-[(Z)-hept-3-enyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine
CID 134864013
2-[(1R,3R)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-3-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)cyclopropyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine
CID 101234030
5-methyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 15503981
[2-methylidene-4-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)butyl] acetate
CID 14822574
1-chloro-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylbutan-2-ol
CID 10966030
1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 107924492
(1S)-1-[(2S,6S)-4,4,6-trimethyl-1,3-oxathian-2-yl]ethanol
CID 131102374
5-methoxy-2,2,4-trimethyl-3,4-dihydropyrrole
CID 167495202

Frequently Asked Questions

What is the IUPAC name of 1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)ethanol?
The IUPAC name of 1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)ethanol (CID 130123661) is 1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)ethanol.
What is the SMILES notation for 1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)ethanol?
The canonical SMILES for 1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)ethanol is CC1CC(C)(C)N=C(C(C)O)O1.
What is the InChIKey of 1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)ethanol?
The InChIKey is WEQNCRXUGNONBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6-5-9(3,4)10-8(12-6)7(2)11/h6-7,11H,5H2,1-4H3.
What are the key properties of 1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)ethanol?
1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)ethanol has a molecular weight of 171.24 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)ethanol is sourced from PubChem (CID 130123661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).