4-[(3E,5Z)-6-methylocta-3,5-dien-3-yl]morpholine

C13H23NO — CID 142264474

IUPAC4-[(3E,5Z)-6-methylocta-3,5-dien-3-yl]morpholine
SMILESCC/C(C)=C\C=C(/CC)N1CCOCC1
InChIInChI=1S/C13H23NO/c1-4-12(3)6-7-13(5-2)14-8-10-15-11-9-14/h6-7H,4-5,8-11H2,1-3H3/b12-6-,13-7+
InChIKeyLTDOVTGDTDGBRZ-VOFKWTQNSA-N
MW209.33 g/mol
LogP2.97
Rot. Bonds4

About 4-[(3E,5Z)-6-methylocta-3,5-dien-3-yl]morpholine

4-[(3E,5Z)-6-methylocta-3,5-dien-3-yl]morpholine (PubChem CID 142264474) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 4-[(3E,5Z)-6-methylocta-3,5-dien-3-yl]morpholine.

Molecular Properties

Compound Name4-[(3E,5Z)-6-methylocta-3,5-dien-3-yl]morpholine
PubChem CID142264474
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name4-[(3E,5Z)-6-methylocta-3,5-dien-3-yl]morpholine
SMILESCC/C(C)=C\C=C(/CC)N1CCOCC1
InChIInChI=1S/C13H23NO/c1-4-12(3)6-7-13(5-2)14-8-10-15-11-9-14/h6-7H,4-5,8-11H2,1-3H3/b12-6-,13-7+
InChIKeyLTDOVTGDTDGBRZ-VOFKWTQNSA-N
XLogP2.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(3E,5Z)-6-methylocta-3,5-dien-3-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

Related Compounds

4-(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)morpholine
CID 294112
4-[(1E,3E)-2-methylpenta-1,3-dienyl]morpholine
CID 10855873
4-[(E)-pent-2-en-3-yl]morpholine
CID 5839066
3-Morpholino-2-pentene
CID 10964743
4-(3-Methylbuta-1,3-dien-2-yl)morpholine
CID 11116257
4-[(2E)-2,5-dimethylhexa-2,5-dienyl]morpholine
CID 12485223
4-[(2E)-5-methylhexa-2,4-dien-2-yl]morpholine
CID 12794203
4-[(4Z)-4,5-difluoro-2,6-dimethylhepta-2,4,6-trien-3-yl]-2,6-dimethylmorpholine
CID 143325416
4-[(2E,4E)-6-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]morpholine
CID 144253116
4-[1-(6-Fluoro-4-methylcyclohexa-2,4-dien-1-yl)ethenyl]morpholine
CID 163449747
4-[(2Z,4Z)-2-fluoro-6-methylhepta-2,4,6-trien-3-yl]morpholine
CID 166687859
4-[(E,4E)-4-(1-fluoroethylidene)hept-2-en-3-yl]morpholine
CID 166838533

Frequently Asked Questions

What is the IUPAC name of 4-[(3E,5Z)-6-methylocta-3,5-dien-3-yl]morpholine?
The IUPAC name of 4-[(3E,5Z)-6-methylocta-3,5-dien-3-yl]morpholine (CID 142264474) is 4-[(3E,5Z)-6-methylocta-3,5-dien-3-yl]morpholine.
What is the SMILES notation for 4-[(3E,5Z)-6-methylocta-3,5-dien-3-yl]morpholine?
The canonical SMILES for 4-[(3E,5Z)-6-methylocta-3,5-dien-3-yl]morpholine is CC/C(C)=C\C=C(/CC)N1CCOCC1.
What is the InChIKey of 4-[(3E,5Z)-6-methylocta-3,5-dien-3-yl]morpholine?
The InChIKey is LTDOVTGDTDGBRZ-VOFKWTQNSA-N. The full InChI is InChI=1S/C13H23NO/c1-4-12(3)6-7-13(5-2)14-8-10-15-11-9-14/h6-7H,4-5,8-11H2,1-3H3/b12-6-,13-7+.
What are the key properties of 4-[(3E,5Z)-6-methylocta-3,5-dien-3-yl]morpholine?
4-[(3E,5Z)-6-methylocta-3,5-dien-3-yl]morpholine has a molecular weight of 209.33 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E,5Z)-6-methylocta-3,5-dien-3-yl]morpholine is sourced from PubChem (CID 142264474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).