1-methoxyethyl icosa-5,8,11,14-tetraenoate

C23H38O3 — CID 173105709

IUPAC1-methoxyethyl icosa-5,8,11,14-tetraenoate
SMILESCCCCCC=CCC=CCC=CCC=CCCCC(=O)OC(C)OC
InChIInChI=1S/C23H38O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(24)26-22(2)25-3/h8-9,11-12,14-15,17-18,22H,4-7,10,13,16,19-21H2,1-3H3
InChIKeyWUYDWFYVMYYRIF-UHFFFAOYSA-N
MW362.55 g/mol
LogP6.67
Rot. Bonds16

About 1-methoxyethyl icosa-5,8,11,14-tetraenoate

1-methoxyethyl icosa-5,8,11,14-tetraenoate (PubChem CID 173105709) has the molecular formula C23H38O3 and a molecular weight of 362.55 g/mol. Its IUPAC name is 1-methoxyethyl icosa-5,8,11,14-tetraenoate.

Molecular Properties

Compound Name1-methoxyethyl icosa-5,8,11,14-tetraenoate
PubChem CID173105709
Molecular FormulaC23H38O3
Molecular Weight362.55 g/mol
Exact Mass362.28
IUPAC Name1-methoxyethyl icosa-5,8,11,14-tetraenoate
SMILESCCCCCC=CCC=CCC=CCC=CCCCC(=O)OC(C)OC
InChIInChI=1S/C23H38O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(24)26-22(2)25-3/h8-9,11-12,14-15,17-18,22H,4-7,10,13,16,19-21H2,1-3H3
InChIKeyWUYDWFYVMYYRIF-UHFFFAOYSA-N
XLogP6.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.55
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl (9Z,12Z)-octadeca-9,12-dienoate
CID 141440294
methyl (5Z)-icosa-5,8,11,14-tetraenoate
CID 141409710
1-methoxyethyl (Z,12R)-12-hydroxyoctadec-9-enoate
CID 87479246
propan-2-yl (E)-dodec-5-enoate
CID 91750680
icosa-5,8,11,14-tetraenoyl icosa-5,8,11,14-tetraeneperoxoate
CID 54235678
[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl] (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate
CID 14636330
2-methylpropyl (8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
CID 58356949
decan-2-yl (9Z,12Z)-octadeca-9,12-dienoate
CID 174941829
propan-2-yl (Z)-dodec-6-enoate
CID 91750689
1,3-dihydroxypropan-2-yl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
CID 11646044
1-ethoxypropyl icosa-5,8,11,14-tetraenoate
CID 173105653
2,3-bis[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy]propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate
CID 132975518

Frequently Asked Questions

What is the IUPAC name of 1-methoxyethyl icosa-5,8,11,14-tetraenoate?
The IUPAC name of 1-methoxyethyl icosa-5,8,11,14-tetraenoate (CID 173105709) is 1-methoxyethyl icosa-5,8,11,14-tetraenoate.
What is the SMILES notation for 1-methoxyethyl icosa-5,8,11,14-tetraenoate?
The canonical SMILES for 1-methoxyethyl icosa-5,8,11,14-tetraenoate is CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC(C)OC.
What is the InChIKey of 1-methoxyethyl icosa-5,8,11,14-tetraenoate?
The InChIKey is WUYDWFYVMYYRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(24)26-22(2)25-3/h8-9,11-12,14-15,17-18,22H,4-7,10,13,16,19-21H2,1-3H3.
What are the key properties of 1-methoxyethyl icosa-5,8,11,14-tetraenoate?
1-methoxyethyl icosa-5,8,11,14-tetraenoate has a molecular weight of 362.55 g/mol, XLogP of 6.67, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyethyl icosa-5,8,11,14-tetraenoate is sourced from PubChem (CID 173105709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).