2-methoxyethyl 18-acetyloxyoctadecanoate

C23H44O5 — CID 22678997

IUPAC2-methoxyethyl 18-acetyloxyoctadecanoate
SMILESCOCCOC(=O)CCCCCCCCCCCCCCCCCOC(C)=O
InChIInChI=1S/C23H44O5/c1-22(24)27-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-23(25)28-21-20-26-2/h3-21H2,1-2H3
InChIKeyFOLQBSXMXMEYRF-UHFFFAOYSA-N
MW400.60 g/mol
LogP5.98
Rot. Bonds21

About 2-methoxyethyl 18-acetyloxyoctadecanoate

2-methoxyethyl 18-acetyloxyoctadecanoate (PubChem CID 22678997) has the molecular formula C23H44O5 and a molecular weight of 400.60 g/mol. Its IUPAC name is 2-methoxyethyl 18-acetyloxyoctadecanoate.

Molecular Properties

Compound Name2-methoxyethyl 18-acetyloxyoctadecanoate
PubChem CID22678997
Molecular FormulaC23H44O5
Molecular Weight400.60 g/mol
Exact Mass400.32
IUPAC Name2-methoxyethyl 18-acetyloxyoctadecanoate
SMILESCOCCOC(=O)CCCCCCCCCCCCCCCCCOC(C)=O
InChIInChI=1S/C23H44O5/c1-22(24)27-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-23(25)28-21-20-26-2/h3-21H2,1-2H3
InChIKeyFOLQBSXMXMEYRF-UHFFFAOYSA-N
XLogP5.98
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.60
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methoxyethyl 18-acetyloxyoctadecanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxyethyl 5-methoxypentanoate
CID 58454735
10-O-(2-methoxyethyl) 1-O-octadecyl decanedioate
CID 91738078
butyl 8-methoxyoctanoate
CID 155647547
5-O-(2-methoxyethyl) 1-O-tetradecyl pentanedioate
CID 91706373
heptyl 6-methoxyhexanoate
CID 134561585
2-acetyloxyethyl hexanoate
CID 21336001
2-methoxyethyl 18-hydroxyoctadecanoate
CID 54055898
14-(2-methoxyethoxy)-14-oxotetradecanoic acid
CID 174560231
2-methoxyethyl octanoate
CID 14009347
methane;4-methoxybutyl acetate
CID 160669604
1-O-[6-[4-(6-acetyloxyhexanoyloxy)butoxy]-6-oxohexyl] 4-O-prop-2-enyl butanedioate
CID 89273836
11-acetyloxyundecyl acetate
CID 87784419

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 18-acetyloxyoctadecanoate?
The IUPAC name of 2-methoxyethyl 18-acetyloxyoctadecanoate (CID 22678997) is 2-methoxyethyl 18-acetyloxyoctadecanoate.
What is the SMILES notation for 2-methoxyethyl 18-acetyloxyoctadecanoate?
The canonical SMILES for 2-methoxyethyl 18-acetyloxyoctadecanoate is COCCOC(=O)CCCCCCCCCCCCCCCCCOC(C)=O.
What is the InChIKey of 2-methoxyethyl 18-acetyloxyoctadecanoate?
The InChIKey is FOLQBSXMXMEYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O5/c1-22(24)27-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-23(25)28-21-20-26-2/h3-21H2,1-2H3.
What are the key properties of 2-methoxyethyl 18-acetyloxyoctadecanoate?
2-methoxyethyl 18-acetyloxyoctadecanoate has a molecular weight of 400.60 g/mol, XLogP of 5.98, 21 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 18-acetyloxyoctadecanoate is sourced from PubChem (CID 22678997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).