(2S)-2-(methoxymethyl)-5,5-dimethylmorpholine

C8H17NO2 — CID 57289578

IUPAC(2S)-2-(methoxymethyl)-5,5-dimethylmorpholine
SMILESCOC[C@@H]1CNC(C)(C)CO1
InChIInChI=1S/C8H17NO2/c1-8(2)6-11-7(4-9-8)5-10-3/h7,9H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyKBQZNIGTYCBNQE-ZETCQYMHSA-N
MW159.23 g/mol
LogP0.40
Rot. Bonds2

About (2S)-2-(methoxymethyl)-5,5-dimethylmorpholine

(2S)-2-(methoxymethyl)-5,5-dimethylmorpholine (PubChem CID 57289578) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (2S)-2-(methoxymethyl)-5,5-dimethylmorpholine.

Molecular Properties

Compound Name(2S)-2-(methoxymethyl)-5,5-dimethylmorpholine
PubChem CID57289578
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(2S)-2-(methoxymethyl)-5,5-dimethylmorpholine
SMILESCOC[C@@H]1CNC(C)(C)CO1
InChIInChI=1S/C8H17NO2/c1-8(2)6-11-7(4-9-8)5-10-3/h7,9H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyKBQZNIGTYCBNQE-ZETCQYMHSA-N
XLogP0.40
TPSA30.49 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 ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methoxymethyl)-5,5-dimethylmorpholine?
The IUPAC name of (2S)-2-(methoxymethyl)-5,5-dimethylmorpholine (CID 57289578) is (2S)-2-(methoxymethyl)-5,5-dimethylmorpholine.
What is the SMILES notation for (2S)-2-(methoxymethyl)-5,5-dimethylmorpholine?
The canonical SMILES for (2S)-2-(methoxymethyl)-5,5-dimethylmorpholine is COC[C@@H]1CNC(C)(C)CO1.
What is the InChIKey of (2S)-2-(methoxymethyl)-5,5-dimethylmorpholine?
The InChIKey is KBQZNIGTYCBNQE-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17NO2/c1-8(2)6-11-7(4-9-8)5-10-3/h7,9H,4-6H2,1-3H3/t7-/m0/s1.
What are the key properties of (2S)-2-(methoxymethyl)-5,5-dimethylmorpholine?
(2S)-2-(methoxymethyl)-5,5-dimethylmorpholine has a molecular weight of 159.23 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methoxymethyl)-5,5-dimethylmorpholine is sourced from PubChem (CID 57289578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).