4-O-(2-morpholin-4-ylethyl) 1-O-pentyl (E)-but-2-enedioate

C15H25NO5 — CID 71711808

IUPAC4-O-(2-morpholin-4-ylethyl) 1-O-pentyl (E)-but-2-enedioate
SMILESCCCCCOC(=O)/C=C/C(=O)OCCN1CCOCC1
InChIInChI=1S/C15H25NO5/c1-2-3-4-10-20-14(17)5-6-15(18)21-13-9-16-7-11-19-12-8-16/h5-6H,2-4,7-13H2,1H3/b6-5+
InChIKeyXUSRLYWFOSDTAJ-AATRIKPKSA-N
MW299.37 g/mol
LogP1.15
Rot. Bonds9

About 4-O-(2-morpholin-4-ylethyl) 1-O-pentyl (E)-but-2-enedioate

4-O-(2-morpholin-4-ylethyl) 1-O-pentyl (E)-but-2-enedioate (PubChem CID 71711808) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-O-(2-morpholin-4-ylethyl) 1-O-pentyl (E)-but-2-enedioate.

Molecular Properties

Compound Name4-O-(2-morpholin-4-ylethyl) 1-O-pentyl (E)-but-2-enedioate
PubChem CID71711808
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Name4-O-(2-morpholin-4-ylethyl) 1-O-pentyl (E)-but-2-enedioate
SMILESCCCCCOC(=O)/C=C/C(=O)OCCN1CCOCC1
InChIInChI=1S/C15H25NO5/c1-2-3-4-10-20-14(17)5-6-15(18)21-13-9-16-7-11-19-12-8-16/h5-6H,2-4,7-13H2,1H3/b6-5+
InChIKeyXUSRLYWFOSDTAJ-AATRIKPKSA-N
XLogP1.15
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis(2-morpholin-4-ylethyl) but-2-enedioate
CID 69032977
1-O-ethyl 4-O-(3-morpholin-4-ylpropyl) but-2-enedioate
CID 78155177
(E)-4-(4-morpholin-4-ylbutoxy)-4-oxobut-2-enoic acid
CID 71711598
4-(8-morpholin-4-yloctoxy)-4-oxobut-2-enoic acid
CID 154097579
tetradecyl 3-morpholin-4-ylpropanoate
CID 59204007
2-morpholin-4-ylethyl octanoate
CID 23118480
N-(2-morpholin-4-ylethoxy)hexanamide
CID 87298881
dioctyl but-2-enedioate
CID 18011
4-O-hexyl 1-O-pentyl (E)-but-2-enedioate
CID 91709768
dihexyl (Z)-but-2-enedioate
CID 5271573
didodecyl (Z)-but-2-enedioate
CID 5354846
diundecyl (Z)-but-2-enedioate
CID 5354455

Frequently Asked Questions

What is the IUPAC name of 4-O-(2-morpholin-4-ylethyl) 1-O-pentyl (E)-but-2-enedioate?
The IUPAC name of 4-O-(2-morpholin-4-ylethyl) 1-O-pentyl (E)-but-2-enedioate (CID 71711808) is 4-O-(2-morpholin-4-ylethyl) 1-O-pentyl (E)-but-2-enedioate.
What is the SMILES notation for 4-O-(2-morpholin-4-ylethyl) 1-O-pentyl (E)-but-2-enedioate?
The canonical SMILES for 4-O-(2-morpholin-4-ylethyl) 1-O-pentyl (E)-but-2-enedioate is CCCCCOC(=O)/C=C/C(=O)OCCN1CCOCC1.
What is the InChIKey of 4-O-(2-morpholin-4-ylethyl) 1-O-pentyl (E)-but-2-enedioate?
The InChIKey is XUSRLYWFOSDTAJ-AATRIKPKSA-N. The full InChI is InChI=1S/C15H25NO5/c1-2-3-4-10-20-14(17)5-6-15(18)21-13-9-16-7-11-19-12-8-16/h5-6H,2-4,7-13H2,1H3/b6-5+.
What are the key properties of 4-O-(2-morpholin-4-ylethyl) 1-O-pentyl (E)-but-2-enedioate?
4-O-(2-morpholin-4-ylethyl) 1-O-pentyl (E)-but-2-enedioate has a molecular weight of 299.37 g/mol, XLogP of 1.15, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-(2-morpholin-4-ylethyl) 1-O-pentyl (E)-but-2-enedioate is sourced from PubChem (CID 71711808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).