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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Related Compounds

2-Hexenyl octanoate, (E)-
CID 5365136
[(E)-1,1-diacetyloxynon-2-en-4-yl] acetate
CID 24848729
Methyl 11-acetyloxyundec-9-enoate
CID 73047542
Methyl 3-(2,5-dimethoxy-2,5-dihydro-2-furyl)propionate
CID 13149550
methyl (E)-11-acetyloxyundec-9-enoate
CID 11666043
methyl (E)-9-methoxycarbonyloxy-3-oxonon-7-enoate
CID 12827974
trans-2-Hexenyl heptanoate
CID 91749802
Hex-2-enyl heptanoate
CID 53704769
Methyl 5-(2,5-dihydrofuran-2-yl)pentanoate
CID 10888613
Methyl 7-(2,5-dihydrofuran-2-yl)heptanoate
CID 10965832
Methyl 8-(2,5-dihydrofuran-2-yl)octanoate
CID 11053352
Methyl 6-(2,5-dihydrofuran-2-yl)hexanoate
CID 11084815

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).