4-hexa-2,4-dien-3-yl-2,6-dimethylmorpholine

C12H21NO — CID 91553519

IUPAC4-hexa-2,4-dien-3-yl-2,6-dimethylmorpholine
SMILESCC=CC(=CC)N1CC(C)OC(C)C1
InChIInChI=1S/C12H21NO/c1-5-7-12(6-2)13-8-10(3)14-11(4)9-13/h5-7,10-11H,8-9H2,1-4H3
InChIKeyALRGLEHQCTZZLF-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.58
Rot. Bonds2

About 4-hexa-2,4-dien-3-yl-2,6-dimethylmorpholine

4-hexa-2,4-dien-3-yl-2,6-dimethylmorpholine (PubChem CID 91553519) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-hexa-2,4-dien-3-yl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-hexa-2,4-dien-3-yl-2,6-dimethylmorpholine
PubChem CID91553519
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-hexa-2,4-dien-3-yl-2,6-dimethylmorpholine
SMILESCC=CC(=CC)N1CC(C)OC(C)C1
InChIInChI=1S/C12H21NO/c1-5-7-12(6-2)13-8-10(3)14-11(4)9-13/h5-7,10-11H,8-9H2,1-4H3
InChIKeyALRGLEHQCTZZLF-UHFFFAOYSA-N
XLogP2.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hexa-2,4-dien-3-yl-2,6-dimethylmorpholine?
The IUPAC name of 4-hexa-2,4-dien-3-yl-2,6-dimethylmorpholine (CID 91553519) is 4-hexa-2,4-dien-3-yl-2,6-dimethylmorpholine.
What is the SMILES notation for 4-hexa-2,4-dien-3-yl-2,6-dimethylmorpholine?
The canonical SMILES for 4-hexa-2,4-dien-3-yl-2,6-dimethylmorpholine is CC=CC(=CC)N1CC(C)OC(C)C1.
What is the InChIKey of 4-hexa-2,4-dien-3-yl-2,6-dimethylmorpholine?
The InChIKey is ALRGLEHQCTZZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-5-7-12(6-2)13-8-10(3)14-11(4)9-13/h5-7,10-11H,8-9H2,1-4H3.
What are the key properties of 4-hexa-2,4-dien-3-yl-2,6-dimethylmorpholine?
4-hexa-2,4-dien-3-yl-2,6-dimethylmorpholine has a molecular weight of 195.31 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexa-2,4-dien-3-yl-2,6-dimethylmorpholine is sourced from PubChem (CID 91553519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).