ethyl 2-(5-oxo-2H-furan-3-yl)tetradecanoate

C20H34O4 — CID 18949915

IUPACethyl 2-(5-oxo-2H-furan-3-yl)tetradecanoate
SMILESCCCCCCCCCCCCC(C(=O)OCC)C1=CC(=O)OC1
InChIInChI=1S/C20H34O4/c1-3-5-6-7-8-9-10-11-12-13-14-18(20(22)23-4-2)17-15-19(21)24-16-17/h15,18H,3-14,16H2,1-2H3
InChIKeyHTPJDMVZQBZAIT-UHFFFAOYSA-N
MW338.49 g/mol
LogP4.96
Rot. Bonds14

About ethyl 2-(5-oxo-2H-furan-3-yl)tetradecanoate

ethyl 2-(5-oxo-2H-furan-3-yl)tetradecanoate (PubChem CID 18949915) has the molecular formula C20H34O4 and a molecular weight of 338.49 g/mol. Its IUPAC name is ethyl 2-(5-oxo-2H-furan-3-yl)tetradecanoate.

Molecular Properties

Compound Nameethyl 2-(5-oxo-2H-furan-3-yl)tetradecanoate
PubChem CID18949915
Molecular FormulaC20H34O4
Molecular Weight338.49 g/mol
Exact Mass338.25
IUPAC Nameethyl 2-(5-oxo-2H-furan-3-yl)tetradecanoate
SMILESCCCCCCCCCCCCC(C(=O)OCC)C1=CC(=O)OC1
InChIInChI=1S/C20H34O4/c1-3-5-6-7-8-9-10-11-12-13-14-18(20(22)23-4-2)17-15-19(21)24-16-17/h15,18H,3-14,16H2,1-2H3
InChIKeyHTPJDMVZQBZAIT-UHFFFAOYSA-N
XLogP4.96
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-oxo-2H-furan-3-yl)tetradecanoate?
The IUPAC name of ethyl 2-(5-oxo-2H-furan-3-yl)tetradecanoate (CID 18949915) is ethyl 2-(5-oxo-2H-furan-3-yl)tetradecanoate.
What is the SMILES notation for ethyl 2-(5-oxo-2H-furan-3-yl)tetradecanoate?
The canonical SMILES for ethyl 2-(5-oxo-2H-furan-3-yl)tetradecanoate is CCCCCCCCCCCCC(C(=O)OCC)C1=CC(=O)OC1.
What is the InChIKey of ethyl 2-(5-oxo-2H-furan-3-yl)tetradecanoate?
The InChIKey is HTPJDMVZQBZAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O4/c1-3-5-6-7-8-9-10-11-12-13-14-18(20(22)23-4-2)17-15-19(21)24-16-17/h15,18H,3-14,16H2,1-2H3.
What are the key properties of ethyl 2-(5-oxo-2H-furan-3-yl)tetradecanoate?
ethyl 2-(5-oxo-2H-furan-3-yl)tetradecanoate has a molecular weight of 338.49 g/mol, XLogP of 4.96, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-oxo-2H-furan-3-yl)tetradecanoate is sourced from PubChem (CID 18949915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).