4-methyl-2-oct-2-en-2-ylmorpholine

C13H25NO — CID 70610956

IUPAC4-methyl-2-oct-2-en-2-ylmorpholine
SMILESCCCCCC=C(C)C1CN(C)CCO1
InChIInChI=1S/C13H25NO/c1-4-5-6-7-8-12(2)13-11-14(3)9-10-15-13/h8,13H,4-7,9-11H2,1-3H3
InChIKeyYIMMSQQNSVRMIJ-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.84
Rot. Bonds5

About 4-methyl-2-oct-2-en-2-ylmorpholine

4-methyl-2-oct-2-en-2-ylmorpholine (PubChem CID 70610956) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-methyl-2-oct-2-en-2-ylmorpholine.

Molecular Properties

Compound Name4-methyl-2-oct-2-en-2-ylmorpholine
PubChem CID70610956
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-methyl-2-oct-2-en-2-ylmorpholine
SMILESCCCCCC=C(C)C1CN(C)CCO1
InChIInChI=1S/C13H25NO/c1-4-5-6-7-8-12(2)13-11-14(3)9-10-15-13/h8,13H,4-7,9-11H2,1-3H3
InChIKeyYIMMSQQNSVRMIJ-UHFFFAOYSA-N
XLogP2.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oct-2-en-2-ylmorpholine?
The IUPAC name of 4-methyl-2-oct-2-en-2-ylmorpholine (CID 70610956) is 4-methyl-2-oct-2-en-2-ylmorpholine.
What is the SMILES notation for 4-methyl-2-oct-2-en-2-ylmorpholine?
The canonical SMILES for 4-methyl-2-oct-2-en-2-ylmorpholine is CCCCCC=C(C)C1CN(C)CCO1.
What is the InChIKey of 4-methyl-2-oct-2-en-2-ylmorpholine?
The InChIKey is YIMMSQQNSVRMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-5-6-7-8-12(2)13-11-14(3)9-10-15-13/h8,13H,4-7,9-11H2,1-3H3.
What are the key properties of 4-methyl-2-oct-2-en-2-ylmorpholine?
4-methyl-2-oct-2-en-2-ylmorpholine has a molecular weight of 211.35 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oct-2-en-2-ylmorpholine is sourced from PubChem (CID 70610956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).