4-[(2-ethylmorpholin-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one

C15H27NO3 — CID 79934464

IUPAC4-[(2-ethylmorpholin-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCCC1CN(CC2C(=O)C(C)(C)OC2(C)C)CCO1
InChIInChI=1S/C15H27NO3/c1-6-11-9-16(7-8-18-11)10-12-13(17)15(4,5)19-14(12,2)3/h11-12H,6-10H2,1-5H3
InChIKeyJXIJSSBKTFBPBF-UHFFFAOYSA-N
MW269.38 g/mol
LogP1.87
Rot. Bonds3

About 4-[(2-ethylmorpholin-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one

4-[(2-ethylmorpholin-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one (PubChem CID 79934464) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 4-[(2-ethylmorpholin-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one.

Molecular Properties

Compound Name4-[(2-ethylmorpholin-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one
PubChem CID79934464
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name4-[(2-ethylmorpholin-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCCC1CN(CC2C(=O)C(C)(C)OC2(C)C)CCO1
InChIInChI=1S/C15H27NO3/c1-6-11-9-16(7-8-18-11)10-12-13(17)15(4,5)19-14(12,2)3/h11-12H,6-10H2,1-5H3
InChIKeyJXIJSSBKTFBPBF-UHFFFAOYSA-N
XLogP1.87
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diethylmorpholine
CID 58988021
4-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 102966841
2,2,5,5-tetramethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-one
CID 79934376
6-[(2-ethylmorpholin-4-yl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 79849362
2-[(2-ethylmorpholin-4-yl)methyl]cyclohexan-1-amine
CID 62614413
1-(2-ethylmorpholin-4-yl)butan-2-one
CID 62040570
5-[(2-ethylmorpholin-4-yl)methyl]oxolane-2-carboxylic acid
CID 62299244
(2S)-1-(2-ethylmorpholin-4-yl)propan-2-amine
CID 103934483
4-dodecyl-2-ethylmorpholine
CID 4616518
1-(2-ethylmorpholin-4-yl)-2-methylpropan-2-ol
CID 60885104
1-(2-ethylmorpholin-4-yl)-3-methylbutan-2-one
CID 79396089
1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-2,5-dione
CID 114400408

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylmorpholin-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one?
The IUPAC name of 4-[(2-ethylmorpholin-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one (CID 79934464) is 4-[(2-ethylmorpholin-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one.
What is the SMILES notation for 4-[(2-ethylmorpholin-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one?
The canonical SMILES for 4-[(2-ethylmorpholin-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one is CCC1CN(CC2C(=O)C(C)(C)OC2(C)C)CCO1.
What is the InChIKey of 4-[(2-ethylmorpholin-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one?
The InChIKey is JXIJSSBKTFBPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-6-11-9-16(7-8-18-11)10-12-13(17)15(4,5)19-14(12,2)3/h11-12H,6-10H2,1-5H3.
What are the key properties of 4-[(2-ethylmorpholin-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one?
4-[(2-ethylmorpholin-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one has a molecular weight of 269.38 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylmorpholin-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one is sourced from PubChem (CID 79934464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).