3-(4-methoxy-2,3-dimethylbut-2-enyl)morpholine

C11H21NO2 — CID 104863213

IUPAC3-(4-methoxy-2,3-dimethylbut-2-enyl)morpholine
SMILESCOCC(C)=C(C)CC1COCCN1
InChIInChI=1S/C11H21NO2/c1-9(10(2)7-13-3)6-11-8-14-5-4-12-11/h11-12H,4-8H2,1-3H3
InChIKeyBJDPWOUXPBVERL-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.35
Rot. Bonds4

About 3-(4-methoxy-2,3-dimethylbut-2-enyl)morpholine

3-(4-methoxy-2,3-dimethylbut-2-enyl)morpholine (PubChem CID 104863213) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-(4-methoxy-2,3-dimethylbut-2-enyl)morpholine.

Molecular Properties

Compound Name3-(4-methoxy-2,3-dimethylbut-2-enyl)morpholine
PubChem CID104863213
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-(4-methoxy-2,3-dimethylbut-2-enyl)morpholine
SMILESCOCC(C)=C(C)CC1COCCN1
InChIInChI=1S/C11H21NO2/c1-9(10(2)7-13-3)6-11-8-14-5-4-12-11/h11-12H,4-8H2,1-3H3
InChIKeyBJDPWOUXPBVERL-UHFFFAOYSA-N
XLogP1.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2,3-dimethylbut-2-enyl)morpholine?
The IUPAC name of 3-(4-methoxy-2,3-dimethylbut-2-enyl)morpholine (CID 104863213) is 3-(4-methoxy-2,3-dimethylbut-2-enyl)morpholine.
What is the SMILES notation for 3-(4-methoxy-2,3-dimethylbut-2-enyl)morpholine?
The canonical SMILES for 3-(4-methoxy-2,3-dimethylbut-2-enyl)morpholine is COCC(C)=C(C)CC1COCCN1.
What is the InChIKey of 3-(4-methoxy-2,3-dimethylbut-2-enyl)morpholine?
The InChIKey is BJDPWOUXPBVERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(10(2)7-13-3)6-11-8-14-5-4-12-11/h11-12H,4-8H2,1-3H3.
What are the key properties of 3-(4-methoxy-2,3-dimethylbut-2-enyl)morpholine?
3-(4-methoxy-2,3-dimethylbut-2-enyl)morpholine has a molecular weight of 199.29 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2,3-dimethylbut-2-enyl)morpholine is sourced from PubChem (CID 104863213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).