4-(4-ethoxyhexa-2,4-dien-3-yl)morpholine

C12H21NO2 — CID 91592386

IUPAC4-(4-ethoxyhexa-2,4-dien-3-yl)morpholine
SMILESCC=C(OCC)C(=CC)N1CCOCC1
InChIInChI=1S/C12H21NO2/c1-4-11(12(5-2)15-6-3)13-7-9-14-10-8-13/h4-5H,6-10H2,1-3H3
InChIKeySNGDNAOVBUJYJZ-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.16
Rot. Bonds4

About 4-(4-ethoxyhexa-2,4-dien-3-yl)morpholine

4-(4-ethoxyhexa-2,4-dien-3-yl)morpholine (PubChem CID 91592386) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-(4-ethoxyhexa-2,4-dien-3-yl)morpholine.

Molecular Properties

Compound Name4-(4-ethoxyhexa-2,4-dien-3-yl)morpholine
PubChem CID91592386
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC Name4-(4-ethoxyhexa-2,4-dien-3-yl)morpholine
SMILESCC=C(OCC)C(=CC)N1CCOCC1
InChIInChI=1S/C12H21NO2/c1-4-11(12(5-2)15-6-3)13-7-9-14-10-8-13/h4-5H,6-10H2,1-3H3
InChIKeySNGDNAOVBUJYJZ-UHFFFAOYSA-N
XLogP2.16
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-(4-ethoxyhexa-2,4-dien-3-yl)morpholine?
The IUPAC name of 4-(4-ethoxyhexa-2,4-dien-3-yl)morpholine (CID 91592386) is 4-(4-ethoxyhexa-2,4-dien-3-yl)morpholine.
What is the SMILES notation for 4-(4-ethoxyhexa-2,4-dien-3-yl)morpholine?
The canonical SMILES for 4-(4-ethoxyhexa-2,4-dien-3-yl)morpholine is CC=C(OCC)C(=CC)N1CCOCC1.
What is the InChIKey of 4-(4-ethoxyhexa-2,4-dien-3-yl)morpholine?
The InChIKey is SNGDNAOVBUJYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-4-11(12(5-2)15-6-3)13-7-9-14-10-8-13/h4-5H,6-10H2,1-3H3.
What are the key properties of 4-(4-ethoxyhexa-2,4-dien-3-yl)morpholine?
4-(4-ethoxyhexa-2,4-dien-3-yl)morpholine has a molecular weight of 211.31 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyhexa-2,4-dien-3-yl)morpholine is sourced from PubChem (CID 91592386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).