4-[2-[(2Z,4Z)-4-methylhepta-2,4,6-trienoxy]ethyl]morpholine

C14H23NO2 — CID 142845362

IUPAC4-[2-[(2Z,4Z)-4-methylhepta-2,4,6-trienoxy]ethyl]morpholine
SMILESC=C/C=C(C)\C=C/COCCN1CCOCC1
InChIInChI=1S/C14H23NO2/c1-3-5-14(2)6-4-10-16-11-7-15-8-12-17-13-9-15/h3-6H,1,7-13H2,2H3/b6-4-,14-5-
InChIKeyPGBNBHBQKJYEON-HERGWDSYSA-N
MW237.34 g/mol
LogP2.02
Rot. Bonds7

About 4-[2-[(2Z,4Z)-4-methylhepta-2,4,6-trienoxy]ethyl]morpholine

4-[2-[(2Z,4Z)-4-methylhepta-2,4,6-trienoxy]ethyl]morpholine (PubChem CID 142845362) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-[2-[(2Z,4Z)-4-methylhepta-2,4,6-trienoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(2Z,4Z)-4-methylhepta-2,4,6-trienoxy]ethyl]morpholine
PubChem CID142845362
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-[2-[(2Z,4Z)-4-methylhepta-2,4,6-trienoxy]ethyl]morpholine
SMILESC=C/C=C(C)\C=C/COCCN1CCOCC1
InChIInChI=1S/C14H23NO2/c1-3-5-14(2)6-4-10-16-11-7-15-8-12-17-13-9-15/h3-6H,1,7-13H2,2H3/b6-4-,14-5-
InChIKeyPGBNBHBQKJYEON-HERGWDSYSA-N
XLogP2.02
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.02
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-[(1E,3E)-2-methylpenta-1,3-dienyl]morpholine
CID 10855873
N-ethyl-N-[2-[(3E,5Z)-3-fluoro-5-methylhepta-1,3,5-trien-2-yl]oxyethyl]-2-methoxyethanamine
CID 142114831
4-[(1E,3E)-3-methylhexa-1,3-dienyl]morpholine
CID 12509071
(4-Allyl-2,5-dihydrofuran-2-yl)morpholine
CID 129792981
[4-(1-Buten-3-yl)-2,5-dihydrofuran-2-yl]morpholine
CID 129800250
4-(2-Methylpenta-1,3-dienyl)morpholine
CID 54302356
4-(2-Cyclohexa-2,5-dien-1-yloxyethyl)morpholine
CID 57109270
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-[1-(2-Methoxycyclohexa-1,5-dien-1-yl)ethoxy]ethyl]morpholine
CID 89688793

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2Z,4Z)-4-methylhepta-2,4,6-trienoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[(2Z,4Z)-4-methylhepta-2,4,6-trienoxy]ethyl]morpholine (CID 142845362) is 4-[2-[(2Z,4Z)-4-methylhepta-2,4,6-trienoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(2Z,4Z)-4-methylhepta-2,4,6-trienoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[(2Z,4Z)-4-methylhepta-2,4,6-trienoxy]ethyl]morpholine is C=C/C=C(C)\C=C/COCCN1CCOCC1.
What is the InChIKey of 4-[2-[(2Z,4Z)-4-methylhepta-2,4,6-trienoxy]ethyl]morpholine?
The InChIKey is PGBNBHBQKJYEON-HERGWDSYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-5-14(2)6-4-10-16-11-7-15-8-12-17-13-9-15/h3-6H,1,7-13H2,2H3/b6-4-,14-5-.
What are the key properties of 4-[2-[(2Z,4Z)-4-methylhepta-2,4,6-trienoxy]ethyl]morpholine?
4-[2-[(2Z,4Z)-4-methylhepta-2,4,6-trienoxy]ethyl]morpholine has a molecular weight of 237.34 g/mol, XLogP of 2.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2Z,4Z)-4-methylhepta-2,4,6-trienoxy]ethyl]morpholine is sourced from PubChem (CID 142845362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).