4-[3-[(2Z,4Z)-4-methylhexa-2,4-dienoxy]propyl]morpholine

C14H25NO2 — CID 142097271

IUPAC4-[3-[(2Z,4Z)-4-methylhexa-2,4-dienoxy]propyl]morpholine
SMILESC/C=C(C)\C=C/COCCCN1CCOCC1
InChIInChI=1S/C14H25NO2/c1-3-14(2)6-4-10-16-11-5-7-15-8-12-17-13-9-15/h3-4,6H,5,7-13H2,1-2H3/b6-4-,14-3-
InChIKeyCODBEFOBHAMDRR-NZJCYXFESA-N
MW239.36 g/mol
LogP2.25
Rot. Bonds7

About 4-[3-[(2Z,4Z)-4-methylhexa-2,4-dienoxy]propyl]morpholine

4-[3-[(2Z,4Z)-4-methylhexa-2,4-dienoxy]propyl]morpholine (PubChem CID 142097271) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-[3-[(2Z,4Z)-4-methylhexa-2,4-dienoxy]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[(2Z,4Z)-4-methylhexa-2,4-dienoxy]propyl]morpholine
PubChem CID142097271
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name4-[3-[(2Z,4Z)-4-methylhexa-2,4-dienoxy]propyl]morpholine
SMILESC/C=C(C)\C=C/COCCCN1CCOCC1
InChIInChI=1S/C14H25NO2/c1-3-14(2)6-4-10-16-11-5-7-15-8-12-17-13-9-15/h3-4,6H,5,7-13H2,1-2H3/b6-4-,14-3-
InChIKeyCODBEFOBHAMDRR-NZJCYXFESA-N
XLogP2.25
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(3E)-5-methoxy-3-methylpenta-1,3-dien-2-yl]morpholine
CID 10932405
4-[2-[(E)-5-methylhex-2-enoxy]ethyl]morpholine
CID 59434655
4-[2-(5-Methylhex-2-enoxy)ethyl]morpholine
CID 72298043
4-[(2E,4Z)-4-methylhepta-2,4-dienyl]morpholine
CID 88957780
4-[(2E,4Z)-5-ethyl-2-methylhepta-2,4,6-trienyl]morpholine
CID 89261349
4-[2-[(2Z,4E)-4-tert-butylhepta-2,4,6-trienoxy]ethyl]morpholine
CID 90089397
2-Hepta-1,3,5-trien-2-yl-4-methylmorpholine
CID 90729864
4-(2-Ethylidenepent-3-enyl)morpholine
CID 90730690
4-(2-Pent-2-enoxyethyl)morpholine
CID 91107015
4-Methyl-2-(3-methylbut-1-enyl)morpholine
CID 91270593
4-[3-(6-Methoxy-3,4-dimethylidenecyclohexa-1,5-dien-1-yl)oxypropyl]morpholine
CID 123336666
4-(2-Ethenylpent-2-enyl)morpholine
CID 123397948

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2Z,4Z)-4-methylhexa-2,4-dienoxy]propyl]morpholine?
The IUPAC name of 4-[3-[(2Z,4Z)-4-methylhexa-2,4-dienoxy]propyl]morpholine (CID 142097271) is 4-[3-[(2Z,4Z)-4-methylhexa-2,4-dienoxy]propyl]morpholine.
What is the SMILES notation for 4-[3-[(2Z,4Z)-4-methylhexa-2,4-dienoxy]propyl]morpholine?
The canonical SMILES for 4-[3-[(2Z,4Z)-4-methylhexa-2,4-dienoxy]propyl]morpholine is C/C=C(C)\C=C/COCCCN1CCOCC1.
What is the InChIKey of 4-[3-[(2Z,4Z)-4-methylhexa-2,4-dienoxy]propyl]morpholine?
The InChIKey is CODBEFOBHAMDRR-NZJCYXFESA-N. The full InChI is InChI=1S/C14H25NO2/c1-3-14(2)6-4-10-16-11-5-7-15-8-12-17-13-9-15/h3-4,6H,5,7-13H2,1-2H3/b6-4-,14-3-.
What are the key properties of 4-[3-[(2Z,4Z)-4-methylhexa-2,4-dienoxy]propyl]morpholine?
4-[3-[(2Z,4Z)-4-methylhexa-2,4-dienoxy]propyl]morpholine has a molecular weight of 239.36 g/mol, XLogP of 2.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2Z,4Z)-4-methylhexa-2,4-dienoxy]propyl]morpholine is sourced from PubChem (CID 142097271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).