2-(methoxymethyl)-4-(2-methylbut-3-en-2-yl)morpholine

C11H21NO2 — CID 123539022

IUPAC2-(methoxymethyl)-4-(2-methylbut-3-en-2-yl)morpholine
SMILESC=CC(C)(C)N1CCOC(COC)C1
InChIInChI=1S/C11H21NO2/c1-5-11(2,3)12-6-7-14-10(8-12)9-13-4/h5,10H,1,6-9H2,2-4H3
InChIKeyBXGYYSUNJLGSLQ-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.30
Rot. Bonds4

About 2-(methoxymethyl)-4-(2-methylbut-3-en-2-yl)morpholine

2-(methoxymethyl)-4-(2-methylbut-3-en-2-yl)morpholine (PubChem CID 123539022) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-(2-methylbut-3-en-2-yl)morpholine.

Molecular Properties

Compound Name2-(methoxymethyl)-4-(2-methylbut-3-en-2-yl)morpholine
PubChem CID123539022
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-(methoxymethyl)-4-(2-methylbut-3-en-2-yl)morpholine
SMILESC=CC(C)(C)N1CCOC(COC)C1
InChIInChI=1S/C11H21NO2/c1-5-11(2,3)12-6-7-14-10(8-12)9-13-4/h5,10H,1,6-9H2,2-4H3
InChIKeyBXGYYSUNJLGSLQ-UHFFFAOYSA-N
XLogP1.30
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(methoxymethyl)-4-(2-methylbut-3-en-2-yl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-(2-methylbut-3-en-2-yl)morpholine?
The IUPAC name of 2-(methoxymethyl)-4-(2-methylbut-3-en-2-yl)morpholine (CID 123539022) is 2-(methoxymethyl)-4-(2-methylbut-3-en-2-yl)morpholine.
What is the SMILES notation for 2-(methoxymethyl)-4-(2-methylbut-3-en-2-yl)morpholine?
The canonical SMILES for 2-(methoxymethyl)-4-(2-methylbut-3-en-2-yl)morpholine is C=CC(C)(C)N1CCOC(COC)C1.
What is the InChIKey of 2-(methoxymethyl)-4-(2-methylbut-3-en-2-yl)morpholine?
The InChIKey is BXGYYSUNJLGSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-11(2,3)12-6-7-14-10(8-12)9-13-4/h5,10H,1,6-9H2,2-4H3.
What are the key properties of 2-(methoxymethyl)-4-(2-methylbut-3-en-2-yl)morpholine?
2-(methoxymethyl)-4-(2-methylbut-3-en-2-yl)morpholine has a molecular weight of 199.29 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-(2-methylbut-3-en-2-yl)morpholine is sourced from PubChem (CID 123539022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).