methyl 5-(2,5-diethoxy-2H-furan-5-yl)pentanoate

C14H24O5 — CID 21437425

IUPACmethyl 5-(2,5-diethoxy-2H-furan-5-yl)pentanoate
SMILESCCOC1C=CC(CCCCC(=O)OC)(OCC)O1
InChIInChI=1S/C14H24O5/c1-4-17-13-9-11-14(19-13,18-5-2)10-7-6-8-12(15)16-3/h9,11,13H,4-8,10H2,1-3H3
InChIKeyVIEFLMDVCBPCGH-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.40
Rot. Bonds9

About methyl 5-(2,5-diethoxy-2H-furan-5-yl)pentanoate

methyl 5-(2,5-diethoxy-2H-furan-5-yl)pentanoate (PubChem CID 21437425) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is methyl 5-(2,5-diethoxy-2H-furan-5-yl)pentanoate.

Molecular Properties

Compound Namemethyl 5-(2,5-diethoxy-2H-furan-5-yl)pentanoate
PubChem CID21437425
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Namemethyl 5-(2,5-diethoxy-2H-furan-5-yl)pentanoate
SMILESCCOC1C=CC(CCCCC(=O)OC)(OCC)O1
InChIInChI=1S/C14H24O5/c1-4-17-13-9-11-14(19-13,18-5-2)10-7-6-8-12(15)16-3/h9,11,13H,4-8,10H2,1-3H3
InChIKeyVIEFLMDVCBPCGH-UHFFFAOYSA-N
XLogP2.40
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_misc_A(5)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(2,5-diethoxy-2H-furan-5-yl)pentanoate?
The IUPAC name of methyl 5-(2,5-diethoxy-2H-furan-5-yl)pentanoate (CID 21437425) is methyl 5-(2,5-diethoxy-2H-furan-5-yl)pentanoate.
What is the SMILES notation for methyl 5-(2,5-diethoxy-2H-furan-5-yl)pentanoate?
The canonical SMILES for methyl 5-(2,5-diethoxy-2H-furan-5-yl)pentanoate is CCOC1C=CC(CCCCC(=O)OC)(OCC)O1.
What is the InChIKey of methyl 5-(2,5-diethoxy-2H-furan-5-yl)pentanoate?
The InChIKey is VIEFLMDVCBPCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5/c1-4-17-13-9-11-14(19-13,18-5-2)10-7-6-8-12(15)16-3/h9,11,13H,4-8,10H2,1-3H3.
What are the key properties of methyl 5-(2,5-diethoxy-2H-furan-5-yl)pentanoate?
methyl 5-(2,5-diethoxy-2H-furan-5-yl)pentanoate has a molecular weight of 272.34 g/mol, XLogP of 2.40, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2,5-diethoxy-2H-furan-5-yl)pentanoate is sourced from PubChem (CID 21437425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).