4-[3-(4-methoxyhexa-1,3,5-trien-3-yloxy)propyl]morpholine

C14H23NO3 — CID 123223918

IUPAC4-[3-(4-methoxyhexa-1,3,5-trien-3-yloxy)propyl]morpholine
SMILESC=CC(OC)=C(C=C)OCCCN1CCOCC1
InChIInChI=1S/C14H23NO3/c1-4-13(16-3)14(5-2)18-10-6-7-15-8-11-17-12-9-15/h4-5H,1-2,6-12H2,3H3
InChIKeySJJGSZPQDJIMEG-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.96
Rot. Bonds8

About 4-[3-(4-methoxyhexa-1,3,5-trien-3-yloxy)propyl]morpholine

4-[3-(4-methoxyhexa-1,3,5-trien-3-yloxy)propyl]morpholine (PubChem CID 123223918) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-[3-(4-methoxyhexa-1,3,5-trien-3-yloxy)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(4-methoxyhexa-1,3,5-trien-3-yloxy)propyl]morpholine
PubChem CID123223918
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name4-[3-(4-methoxyhexa-1,3,5-trien-3-yloxy)propyl]morpholine
SMILESC=CC(OC)=C(C=C)OCCCN1CCOCC1
InChIInChI=1S/C14H23NO3/c1-4-13(16-3)14(5-2)18-10-6-7-15-8-11-17-12-9-15/h4-5H,1-2,6-12H2,3H3
InChIKeySJJGSZPQDJIMEG-UHFFFAOYSA-N
XLogP1.96
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-1-[2-[(3E)-2-fluoropenta-1,3-dien-3-yl]oxyethyl]piperidine
CID 145107631
4-[(1E,3Z)-3-ethoxypenta-1,3-dienyl]morpholine
CID 88860280
4-(2-Penta-2,4-dien-2-yloxyethyl)morpholine
CID 91541811
4-(2-Buta-1,3-dien-2-yloxyethyl)morpholine
CID 91550852
4-[3-[(3Z)-penta-1,3-dien-2-yl]oxypropyl]morpholine
CID 138716471
1-[2-[(3E)-hexa-1,3,5-trien-3-yl]oxyethyl]piperidine
CID 141973839
ethane;N-ethyl-2-[(3E)-hexa-1,3,5-trien-3-yl]oxy-N-methylethanamine
CID 142116756
4-[2-(1lambda3-Iodacyclohexa-1,3,5-trien-4-yloxy)ethyl]morpholine
CID 142742082
4-[2-[(3E)-6-methylhepta-1,3,5-trien-3-yl]oxyethyl]morpholine
CID 143052647
4-[3-[(3E,5Z,7Z)-nona-3,5,7-trien-4-yl]oxypropyl]morpholine
CID 143407616
ethene;4-ethoxy-1-[2-[(3E)-2-fluoropenta-1,3-dien-3-yl]oxyethyl]piperidine;propane
CID 145107630
ethane;4-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]morpholine
CID 145119696

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyhexa-1,3,5-trien-3-yloxy)propyl]morpholine?
The IUPAC name of 4-[3-(4-methoxyhexa-1,3,5-trien-3-yloxy)propyl]morpholine (CID 123223918) is 4-[3-(4-methoxyhexa-1,3,5-trien-3-yloxy)propyl]morpholine.
What is the SMILES notation for 4-[3-(4-methoxyhexa-1,3,5-trien-3-yloxy)propyl]morpholine?
The canonical SMILES for 4-[3-(4-methoxyhexa-1,3,5-trien-3-yloxy)propyl]morpholine is C=CC(OC)=C(C=C)OCCCN1CCOCC1.
What is the InChIKey of 4-[3-(4-methoxyhexa-1,3,5-trien-3-yloxy)propyl]morpholine?
The InChIKey is SJJGSZPQDJIMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-4-13(16-3)14(5-2)18-10-6-7-15-8-11-17-12-9-15/h4-5H,1-2,6-12H2,3H3.
What are the key properties of 4-[3-(4-methoxyhexa-1,3,5-trien-3-yloxy)propyl]morpholine?
4-[3-(4-methoxyhexa-1,3,5-trien-3-yloxy)propyl]morpholine has a molecular weight of 253.34 g/mol, XLogP of 1.96, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyhexa-1,3,5-trien-3-yloxy)propyl]morpholine is sourced from PubChem (CID 123223918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).