3-(5-methoxy-2,3-dimethylpent-2-enyl)morpholine

C12H23NO2 — CID 104881767

IUPAC3-(5-methoxy-2,3-dimethylpent-2-enyl)morpholine
SMILESCOCCC(C)=C(C)CC1COCCN1
InChIInChI=1S/C12H23NO2/c1-10(4-6-14-3)11(2)8-12-9-15-7-5-13-12/h12-13H,4-9H2,1-3H3
InChIKeyWAWHVHQZMQPQAD-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.74
Rot. Bonds5

About 3-(5-methoxy-2,3-dimethylpent-2-enyl)morpholine

3-(5-methoxy-2,3-dimethylpent-2-enyl)morpholine (PubChem CID 104881767) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-(5-methoxy-2,3-dimethylpent-2-enyl)morpholine.

Molecular Properties

Compound Name3-(5-methoxy-2,3-dimethylpent-2-enyl)morpholine
PubChem CID104881767
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-(5-methoxy-2,3-dimethylpent-2-enyl)morpholine
SMILESCOCCC(C)=C(C)CC1COCCN1
InChIInChI=1S/C12H23NO2/c1-10(4-6-14-3)11(2)8-12-9-15-7-5-13-12/h12-13H,4-9H2,1-3H3
InChIKeyWAWHVHQZMQPQAD-UHFFFAOYSA-N
XLogP1.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.74
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-(5-methoxy-2,3-dimethylpent-2-enyl)morpholine?
The IUPAC name of 3-(5-methoxy-2,3-dimethylpent-2-enyl)morpholine (CID 104881767) is 3-(5-methoxy-2,3-dimethylpent-2-enyl)morpholine.
What is the SMILES notation for 3-(5-methoxy-2,3-dimethylpent-2-enyl)morpholine?
The canonical SMILES for 3-(5-methoxy-2,3-dimethylpent-2-enyl)morpholine is COCCC(C)=C(C)CC1COCCN1.
What is the InChIKey of 3-(5-methoxy-2,3-dimethylpent-2-enyl)morpholine?
The InChIKey is WAWHVHQZMQPQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(4-6-14-3)11(2)8-12-9-15-7-5-13-12/h12-13H,4-9H2,1-3H3.
What are the key properties of 3-(5-methoxy-2,3-dimethylpent-2-enyl)morpholine?
3-(5-methoxy-2,3-dimethylpent-2-enyl)morpholine has a molecular weight of 213.32 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-2,3-dimethylpent-2-enyl)morpholine is sourced from PubChem (CID 104881767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).