ethane;4-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]morpholine

C14H27NO2 — CID 145119696

IUPACethane;4-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]morpholine
SMILESC=C/C=C(\C)OCCCN1CCOCC1.CC
InChIInChI=1S/C12H21NO2.C2H6/c1-3-5-12(2)15-9-4-6-13-7-10-14-11-8-13;1-2/h3,5H,1,4,6-11H2,2H3;1-2H3/b12-5+;
InChIKeyGJJJEMZACSVQGQ-NKPNRJPBSA-N
MW241.37 g/mol
LogP2.84
Rot. Bonds6

About ethane;4-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]morpholine

ethane;4-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]morpholine (PubChem CID 145119696) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is ethane;4-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]morpholine.

Molecular Properties

Compound Nameethane;4-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]morpholine
PubChem CID145119696
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nameethane;4-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]morpholine
SMILESC=C/C=C(\C)OCCCN1CCOCC1.CC
InChIInChI=1S/C12H21NO2.C2H6/c1-3-5-12(2)15-9-4-6-13-7-10-14-11-8-13;1-2/h3,5H,1,4,6-11H2,2H3;1-2H3/b12-5+;
InChIKeyGJJJEMZACSVQGQ-NKPNRJPBSA-N
XLogP2.84
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;4-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]morpholine?
The IUPAC name of ethane;4-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]morpholine (CID 145119696) is ethane;4-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]morpholine.
What is the SMILES notation for ethane;4-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]morpholine?
The canonical SMILES for ethane;4-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]morpholine is C=C/C=C(\C)OCCCN1CCOCC1.CC.
What is the InChIKey of ethane;4-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]morpholine?
The InChIKey is GJJJEMZACSVQGQ-NKPNRJPBSA-N. The full InChI is InChI=1S/C12H21NO2.C2H6/c1-3-5-12(2)15-9-4-6-13-7-10-14-11-8-13;1-2/h3,5H,1,4,6-11H2,2H3;1-2H3/b12-5+;.
What are the key properties of ethane;4-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]morpholine?
ethane;4-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]morpholine has a molecular weight of 241.37 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]morpholine is sourced from PubChem (CID 145119696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).