4-[(3Z,5Z)-5-methylnona-3,5,8-trienyl]morpholine

C14H23NO — CID 139565496

IUPAC4-[(3Z,5Z)-5-methylnona-3,5,8-trienyl]morpholine
SMILESC=CC/C=C(C)\C=C/CCN1CCOCC1
InChIInChI=1S/C14H23NO/c1-3-4-7-14(2)8-5-6-9-15-10-12-16-13-11-15/h3,5,7-8H,1,4,6,9-13H2,2H3/b8-5-,14-7-
InChIKeyZEOFKWUNYWQZAV-ADNURMQWSA-N
MW221.34 g/mol
LogP2.79
Rot. Bonds6

About 4-[(3Z,5Z)-5-methylnona-3,5,8-trienyl]morpholine

4-[(3Z,5Z)-5-methylnona-3,5,8-trienyl]morpholine (PubChem CID 139565496) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-[(3Z,5Z)-5-methylnona-3,5,8-trienyl]morpholine.

Molecular Properties

Compound Name4-[(3Z,5Z)-5-methylnona-3,5,8-trienyl]morpholine
PubChem CID139565496
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-[(3Z,5Z)-5-methylnona-3,5,8-trienyl]morpholine
SMILESC=CC/C=C(C)\C=C/CCN1CCOCC1
InChIInChI=1S/C14H23NO/c1-3-4-7-14(2)8-5-6-9-15-10-12-16-13-11-15/h3,5,7-8H,1,4,6,9-13H2,2H3/b8-5-,14-7-
InChIKeyZEOFKWUNYWQZAV-ADNURMQWSA-N
XLogP2.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3Z,5Z)-5-methylnona-3,5,8-trienyl]morpholine?
The IUPAC name of 4-[(3Z,5Z)-5-methylnona-3,5,8-trienyl]morpholine (CID 139565496) is 4-[(3Z,5Z)-5-methylnona-3,5,8-trienyl]morpholine.
What is the SMILES notation for 4-[(3Z,5Z)-5-methylnona-3,5,8-trienyl]morpholine?
The canonical SMILES for 4-[(3Z,5Z)-5-methylnona-3,5,8-trienyl]morpholine is C=CC/C=C(C)\C=C/CCN1CCOCC1.
What is the InChIKey of 4-[(3Z,5Z)-5-methylnona-3,5,8-trienyl]morpholine?
The InChIKey is ZEOFKWUNYWQZAV-ADNURMQWSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-4-7-14(2)8-5-6-9-15-10-12-16-13-11-15/h3,5,7-8H,1,4,6,9-13H2,2H3/b8-5-,14-7-.
What are the key properties of 4-[(3Z,5Z)-5-methylnona-3,5,8-trienyl]morpholine?
4-[(3Z,5Z)-5-methylnona-3,5,8-trienyl]morpholine has a molecular weight of 221.34 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3Z,5Z)-5-methylnona-3,5,8-trienyl]morpholine is sourced from PubChem (CID 139565496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).