4-(5-butoxypent-4-en-2-ynyl)morpholine

C13H21NO2 — CID 3072552

IUPAC4-(5-butoxypent-4-en-2-ynyl)morpholine
SMILESCCCCOC=CC#CCN1CCOCC1
InChIInChI=1S/C13H21NO2/c1-2-3-10-15-11-6-4-5-7-14-8-12-16-13-9-14/h6,11H,2-3,7-10,12-13H2,1H3
InChIKeyWKUZASLJYKAXOR-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.65
Rot. Bonds5

About 4-(5-butoxypent-4-en-2-ynyl)morpholine

4-(5-butoxypent-4-en-2-ynyl)morpholine (PubChem CID 3072552) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-(5-butoxypent-4-en-2-ynyl)morpholine.

Molecular Properties

Compound Name4-(5-butoxypent-4-en-2-ynyl)morpholine
PubChem CID3072552
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-(5-butoxypent-4-en-2-ynyl)morpholine
SMILESCCCCOC=CC#CCN1CCOCC1
InChIInChI=1S/C13H21NO2/c1-2-3-10-15-11-6-4-5-7-14-8-12-16-13-9-14/h6,11H,2-3,7-10,12-13H2,1H3
InChIKeyWKUZASLJYKAXOR-UHFFFAOYSA-N
XLogP1.65
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.65
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

16-propyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71337150
4-O-(2-morpholin-4-ylethyl) 1-O-pentyl (E)-but-2-enedioate
CID 71711808
CID 58998022
CID 58998022
butane;4-butylmorpholine
CID 177152600
4-(3-methylsulfanylprop-2-ynyl)morpholine
CID 153360046
ethane;4-propylmorpholine
CID 143004992
4-propylmorpholine;hydrobromide
CID 70540609
ethane;1-methoxybutane;4-(2-methylpropyl)morpholine
CID 163400303
4-hexylmorpholine
CID 3614751
4-(2-hexoxyethyl)morpholine
CID 3326674
1-butoxy-3-morpholin-4-ylpropane-2-thiol
CID 14937158
(2R)-6-morpholin-4-ylhex-4-yn-2-ol
CID 7272443

Frequently Asked Questions

What is the IUPAC name of 4-(5-butoxypent-4-en-2-ynyl)morpholine?
The IUPAC name of 4-(5-butoxypent-4-en-2-ynyl)morpholine (CID 3072552) is 4-(5-butoxypent-4-en-2-ynyl)morpholine.
What is the SMILES notation for 4-(5-butoxypent-4-en-2-ynyl)morpholine?
The canonical SMILES for 4-(5-butoxypent-4-en-2-ynyl)morpholine is CCCCOC=CC#CCN1CCOCC1.
What is the InChIKey of 4-(5-butoxypent-4-en-2-ynyl)morpholine?
The InChIKey is WKUZASLJYKAXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-2-3-10-15-11-6-4-5-7-14-8-12-16-13-9-14/h6,11H,2-3,7-10,12-13H2,1H3.
What are the key properties of 4-(5-butoxypent-4-en-2-ynyl)morpholine?
4-(5-butoxypent-4-en-2-ynyl)morpholine has a molecular weight of 223.32 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-butoxypent-4-en-2-ynyl)morpholine is sourced from PubChem (CID 3072552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).