2-[[(3Z,5Z)-4-ethoxyhepta-1,3,5-trien-3-yl]oxymethyl]morpholine

C14H23NO3 — CID 170763553

IUPAC2-[[(3Z,5Z)-4-ethoxyhepta-1,3,5-trien-3-yl]oxymethyl]morpholine
SMILESC=C/C(OCC1CNCCO1)=C(\C=C/C)OCC
InChIInChI=1S/C14H23NO3/c1-4-7-14(16-6-3)13(5-2)18-11-12-10-15-8-9-17-12/h4-5,7,12,15H,2,6,8-11H2,1,3H3/b7-4-,14-13-
InChIKeyQWBRHZNPSXOROA-YCWRBDDXSA-N
MW253.34 g/mol
LogP2.00
Rot. Bonds7

About 2-[[(3Z,5Z)-4-ethoxyhepta-1,3,5-trien-3-yl]oxymethyl]morpholine

2-[[(3Z,5Z)-4-ethoxyhepta-1,3,5-trien-3-yl]oxymethyl]morpholine (PubChem CID 170763553) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-[[(3Z,5Z)-4-ethoxyhepta-1,3,5-trien-3-yl]oxymethyl]morpholine.

Molecular Properties

Compound Name2-[[(3Z,5Z)-4-ethoxyhepta-1,3,5-trien-3-yl]oxymethyl]morpholine
PubChem CID170763553
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-[[(3Z,5Z)-4-ethoxyhepta-1,3,5-trien-3-yl]oxymethyl]morpholine
SMILESC=C/C(OCC1CNCCO1)=C(\C=C/C)OCC
InChIInChI=1S/C14H23NO3/c1-4-7-14(16-6-3)13(5-2)18-11-12-10-15-8-9-17-12/h4-5,7,12,15H,2,6,8-11H2,1,3H3/b7-4-,14-13-
InChIKeyQWBRHZNPSXOROA-YCWRBDDXSA-N
XLogP2.00
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3Z,5Z)-4-ethoxyhepta-1,3,5-trien-3-yl]oxymethyl]morpholine?
The IUPAC name of 2-[[(3Z,5Z)-4-ethoxyhepta-1,3,5-trien-3-yl]oxymethyl]morpholine (CID 170763553) is 2-[[(3Z,5Z)-4-ethoxyhepta-1,3,5-trien-3-yl]oxymethyl]morpholine.
What is the SMILES notation for 2-[[(3Z,5Z)-4-ethoxyhepta-1,3,5-trien-3-yl]oxymethyl]morpholine?
The canonical SMILES for 2-[[(3Z,5Z)-4-ethoxyhepta-1,3,5-trien-3-yl]oxymethyl]morpholine is C=C/C(OCC1CNCCO1)=C(\C=C/C)OCC.
What is the InChIKey of 2-[[(3Z,5Z)-4-ethoxyhepta-1,3,5-trien-3-yl]oxymethyl]morpholine?
The InChIKey is QWBRHZNPSXOROA-YCWRBDDXSA-N. The full InChI is InChI=1S/C14H23NO3/c1-4-7-14(16-6-3)13(5-2)18-11-12-10-15-8-9-17-12/h4-5,7,12,15H,2,6,8-11H2,1,3H3/b7-4-,14-13-.
What are the key properties of 2-[[(3Z,5Z)-4-ethoxyhepta-1,3,5-trien-3-yl]oxymethyl]morpholine?
2-[[(3Z,5Z)-4-ethoxyhepta-1,3,5-trien-3-yl]oxymethyl]morpholine has a molecular weight of 253.34 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3Z,5Z)-4-ethoxyhepta-1,3,5-trien-3-yl]oxymethyl]morpholine is sourced from PubChem (CID 170763553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).