2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanol

C8H17NO2 — CID 53215760

IUPAC2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanol
SMILESC[C@@H]1CN(CCO)C[C@H](C)O1
InChIInChI=1S/C8H17NO2/c1-7-5-9(3-4-10)6-8(2)11-7/h7-8,10H,3-6H2,1-2H3/t7-,8+
InChIKeyVAFPVCCEXLHAGE-OCAPTIKFSA-N
MW159.23 g/mol
LogP0.09
Rot. Bonds2

About 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanol

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanol (PubChem CID 53215760) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanol.

Molecular Properties

Compound Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanol
PubChem CID53215760
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanol
SMILESC[C@@H]1CN(CCO)C[C@H](C)O1
InChIInChI=1S/C8H17NO2/c1-7-5-9(3-4-10)6-8(2)11-7/h7-8,10H,3-6H2,1-2H3/t7-,8+
InChIKeyVAFPVCCEXLHAGE-OCAPTIKFSA-N
XLogP0.09
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanol?
The IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanol (CID 53215760) is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanol.
What is the SMILES notation for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanol?
The canonical SMILES for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanol is C[C@@H]1CN(CCO)C[C@H](C)O1.
What is the InChIKey of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanol?
The InChIKey is VAFPVCCEXLHAGE-OCAPTIKFSA-N. The full InChI is InChI=1S/C8H17NO2/c1-7-5-9(3-4-10)6-8(2)11-7/h7-8,10H,3-6H2,1-2H3/t7-,8+.
What are the key properties of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanol?
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanol has a molecular weight of 159.23 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanol is sourced from PubChem (CID 53215760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).