2-methoxyethyl 18-hydroxyoctadecanoate

C21H42O4 — CID 54055898

IUPAC2-methoxyethyl 18-hydroxyoctadecanoate
SMILESCOCCOC(=O)CCCCCCCCCCCCCCCCCO
InChIInChI=1S/C21H42O4/c1-24-19-20-25-21(23)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-22/h22H,2-20H2,1H3
InChIKeySLFVPJJCSIUFET-UHFFFAOYSA-N
MW358.56 g/mol
LogP5.41
Rot. Bonds20

About 2-methoxyethyl 18-hydroxyoctadecanoate

2-methoxyethyl 18-hydroxyoctadecanoate (PubChem CID 54055898) has the molecular formula C21H42O4 and a molecular weight of 358.56 g/mol. Its IUPAC name is 2-methoxyethyl 18-hydroxyoctadecanoate.

Molecular Properties

Compound Name2-methoxyethyl 18-hydroxyoctadecanoate
PubChem CID54055898
Molecular FormulaC21H42O4
Molecular Weight358.56 g/mol
Exact Mass358.31
IUPAC Name2-methoxyethyl 18-hydroxyoctadecanoate
SMILESCOCCOC(=O)CCCCCCCCCCCCCCCCCO
InChIInChI=1S/C21H42O4/c1-24-19-20-25-21(23)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-22/h22H,2-20H2,1H3
InChIKeySLFVPJJCSIUFET-UHFFFAOYSA-N
XLogP5.41
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.56
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methoxyhexanoyloxymethyl 6-hydroxyhexanoate
CID 170088315
2-methoxyethyl 5-methoxypentanoate
CID 58454735
bis(10-hydroxydecyl) tetradecanedioate
CID 171852033
bis(7-hydroxyheptyl) icosanedioate
CID 91383667
bis(4-hydroxybutyl) octanedioate
CID 58519863
2-methoxyethyl octanoate
CID 14009347
14-(2-methoxyethoxy)-14-oxotetradecanoic acid
CID 174560231
6-(6-hydroxyhexanoyloxy)hexyl 6-hydroxyhexanoate;methane
CID 158211085
butyl 7-hydroxyheptanoate
CID 54028620
butyl 12-hydroxydodecanoate
CID 18364328
34-hydroxytetratriacontyl dodecanoate
CID 166097619
16-hydroxyhexadecyl dodecanoate
CID 166098146

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 18-hydroxyoctadecanoate?
The IUPAC name of 2-methoxyethyl 18-hydroxyoctadecanoate (CID 54055898) is 2-methoxyethyl 18-hydroxyoctadecanoate.
What is the SMILES notation for 2-methoxyethyl 18-hydroxyoctadecanoate?
The canonical SMILES for 2-methoxyethyl 18-hydroxyoctadecanoate is COCCOC(=O)CCCCCCCCCCCCCCCCCO.
What is the InChIKey of 2-methoxyethyl 18-hydroxyoctadecanoate?
The InChIKey is SLFVPJJCSIUFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O4/c1-24-19-20-25-21(23)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-22/h22H,2-20H2,1H3.
What are the key properties of 2-methoxyethyl 18-hydroxyoctadecanoate?
2-methoxyethyl 18-hydroxyoctadecanoate has a molecular weight of 358.56 g/mol, XLogP of 5.41, 20 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 18-hydroxyoctadecanoate is sourced from PubChem (CID 54055898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).