3-[1-(2-methoxyethoxymethoxy)tridecyl]-2H-furan-5-one

C21H38O5 — CID 18949922

IUPAC3-[1-(2-methoxyethoxymethoxy)tridecyl]-2H-furan-5-one
SMILESCCCCCCCCCCCCC(OCOCCOC)C1=CC(=O)OC1
InChIInChI=1S/C21H38O5/c1-3-4-5-6-7-8-9-10-11-12-13-20(19-16-21(22)25-17-19)26-18-24-15-14-23-2/h16,20H,3-15,17-18H2,1-2H3
InChIKeyYKPGJQOZIOTCEG-UHFFFAOYSA-N
MW370.53 g/mol
LogP4.79
Rot. Bonds18

About 3-[1-(2-methoxyethoxymethoxy)tridecyl]-2H-furan-5-one

3-[1-(2-methoxyethoxymethoxy)tridecyl]-2H-furan-5-one (PubChem CID 18949922) has the molecular formula C21H38O5 and a molecular weight of 370.53 g/mol. Its IUPAC name is 3-[1-(2-methoxyethoxymethoxy)tridecyl]-2H-furan-5-one.

Molecular Properties

Compound Name3-[1-(2-methoxyethoxymethoxy)tridecyl]-2H-furan-5-one
PubChem CID18949922
Molecular FormulaC21H38O5
Molecular Weight370.53 g/mol
Exact Mass370.27
IUPAC Name3-[1-(2-methoxyethoxymethoxy)tridecyl]-2H-furan-5-one
SMILESCCCCCCCCCCCCC(OCOCCOC)C1=CC(=O)OC1
InChIInChI=1S/C21H38O5/c1-3-4-5-6-7-8-9-10-11-12-13-20(19-16-21(22)25-17-19)26-18-24-15-14-23-2/h16,20H,3-15,17-18H2,1-2H3
InChIKeyYKPGJQOZIOTCEG-UHFFFAOYSA-N
XLogP4.79
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.53
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethoxy)tridecan-3-ylhydrazine
CID 102929888
methyl 5-[1-(2-hydroxy-5-oxo-2H-furan-3-yl)tridecoxy]pentanoate
CID 70364711
(4S,5S)-5-(2-methoxyethoxymethoxy)undec-1-yn-4-ol
CID 11184860
2-(2-methoxyethoxy)octadecane
CID 89276167
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]heptane
CID 44593867
1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 151811497
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 175220502
1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tetradecane
CID 102000806
(3R,4S,5R)-1-bromo-5-(2-methoxyethoxymethoxy)dodec-1-yne-3,4-diol
CID 134866658
2-(2-methoxyethoxy)ethyl-trioctylphosphanium
CID 87729688
bis[2-(2-methoxyethoxy)ethyl] 2-pentylpropanedioate
CID 101278893
1-[2-(2-methoxyethoxy)ethoxy]octan-2-ol
CID 150741605

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxyethoxymethoxy)tridecyl]-2H-furan-5-one?
The IUPAC name of 3-[1-(2-methoxyethoxymethoxy)tridecyl]-2H-furan-5-one (CID 18949922) is 3-[1-(2-methoxyethoxymethoxy)tridecyl]-2H-furan-5-one.
What is the SMILES notation for 3-[1-(2-methoxyethoxymethoxy)tridecyl]-2H-furan-5-one?
The canonical SMILES for 3-[1-(2-methoxyethoxymethoxy)tridecyl]-2H-furan-5-one is CCCCCCCCCCCCC(OCOCCOC)C1=CC(=O)OC1.
What is the InChIKey of 3-[1-(2-methoxyethoxymethoxy)tridecyl]-2H-furan-5-one?
The InChIKey is YKPGJQOZIOTCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38O5/c1-3-4-5-6-7-8-9-10-11-12-13-20(19-16-21(22)25-17-19)26-18-24-15-14-23-2/h16,20H,3-15,17-18H2,1-2H3.
What are the key properties of 3-[1-(2-methoxyethoxymethoxy)tridecyl]-2H-furan-5-one?
3-[1-(2-methoxyethoxymethoxy)tridecyl]-2H-furan-5-one has a molecular weight of 370.53 g/mol, XLogP of 4.79, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxyethoxymethoxy)tridecyl]-2H-furan-5-one is sourced from PubChem (CID 18949922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).