2,6-dimethyl-4-[2-(2,3,5-trimethylphenoxy)ethyl]morpholine;oxalic acid

C19H29NO6 — CID 2934445

IUPAC2,6-dimethyl-4-[2-(2,3,5-trimethylphenoxy)ethyl]morpholine;oxalic acid
SMILESCc1cc(C)c(C)c(OCCN2CC(C)OC(C)C2)c1.O=C(O)C(=O)O
InChIInChI=1S/C17H27NO2.C2H2O4/c1-12-8-13(2)16(5)17(9-12)19-7-6-18-10-14(3)20-15(4)11-18;3-1(4)2(5)6/h8-9,14-15H,6-7,10-11H2,1-5H3;(H,3,4)(H,5,6)
InChIKeyFULQRXJJKLMXDR-UHFFFAOYSA-N
MW367.44 g/mol
LogP2.26
Rot. Bonds4

About 2,6-dimethyl-4-[2-(2,3,5-trimethylphenoxy)ethyl]morpholine;oxalic acid

2,6-dimethyl-4-[2-(2,3,5-trimethylphenoxy)ethyl]morpholine;oxalic acid (PubChem CID 2934445) has the molecular formula C19H29NO6 and a molecular weight of 367.44 g/mol. Its IUPAC name is 2,6-dimethyl-4-[2-(2,3,5-trimethylphenoxy)ethyl]morpholine;oxalic acid.

Molecular Properties

Compound Name2,6-dimethyl-4-[2-(2,3,5-trimethylphenoxy)ethyl]morpholine;oxalic acid
PubChem CID2934445
Molecular FormulaC19H29NO6
Molecular Weight367.44 g/mol
Exact Mass367.20
IUPAC Name2,6-dimethyl-4-[2-(2,3,5-trimethylphenoxy)ethyl]morpholine;oxalic acid
SMILESCc1cc(C)c(C)c(OCCN2CC(C)OC(C)C2)c1.O=C(O)C(=O)O
InChIInChI=1S/C17H27NO2.C2H2O4/c1-12-8-13(2)16(5)17(9-12)19-7-6-18-10-14(3)20-15(4)11-18;3-1(4)2(5)6/h8-9,14-15H,6-7,10-11H2,1-5H3;(H,3,4)(H,5,6)
InChIKeyFULQRXJJKLMXDR-UHFFFAOYSA-N
XLogP2.26
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[2-(2,3,5-trimethylphenoxy)ethyl]morpholine;oxalic acid?
The IUPAC name of 2,6-dimethyl-4-[2-(2,3,5-trimethylphenoxy)ethyl]morpholine;oxalic acid (CID 2934445) is 2,6-dimethyl-4-[2-(2,3,5-trimethylphenoxy)ethyl]morpholine;oxalic acid.
What is the SMILES notation for 2,6-dimethyl-4-[2-(2,3,5-trimethylphenoxy)ethyl]morpholine;oxalic acid?
The canonical SMILES for 2,6-dimethyl-4-[2-(2,3,5-trimethylphenoxy)ethyl]morpholine;oxalic acid is Cc1cc(C)c(C)c(OCCN2CC(C)OC(C)C2)c1.O=C(O)C(=O)O.
What is the InChIKey of 2,6-dimethyl-4-[2-(2,3,5-trimethylphenoxy)ethyl]morpholine;oxalic acid?
The InChIKey is FULQRXJJKLMXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2.C2H2O4/c1-12-8-13(2)16(5)17(9-12)19-7-6-18-10-14(3)20-15(4)11-18;3-1(4)2(5)6/h8-9,14-15H,6-7,10-11H2,1-5H3;(H,3,4)(H,5,6).
What are the key properties of 2,6-dimethyl-4-[2-(2,3,5-trimethylphenoxy)ethyl]morpholine;oxalic acid?
2,6-dimethyl-4-[2-(2,3,5-trimethylphenoxy)ethyl]morpholine;oxalic acid has a molecular weight of 367.44 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[2-(2,3,5-trimethylphenoxy)ethyl]morpholine;oxalic acid is sourced from PubChem (CID 2934445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).