methyl 3-(2,5-dimethoxy-2H-furan-5-yl)propanoate

C10H16O5 — CID 13149550

IUPACmethyl 3-(2,5-dimethoxy-2H-furan-5-yl)propanoate
SMILESCOC(=O)CCC1(OC)C=CC(OC)O1
InChIInChI=1S/C10H16O5/c1-12-8(11)4-6-10(14-3)7-5-9(13-2)15-10/h5,7,9H,4,6H2,1-3H3
InChIKeyVJVSWRCPZLEYMR-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.84
Rot. Bonds5

About methyl 3-(2,5-dimethoxy-2H-furan-5-yl)propanoate

methyl 3-(2,5-dimethoxy-2H-furan-5-yl)propanoate (PubChem CID 13149550) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is methyl 3-(2,5-dimethoxy-2H-furan-5-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2,5-dimethoxy-2H-furan-5-yl)propanoate
PubChem CID13149550
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Namemethyl 3-(2,5-dimethoxy-2H-furan-5-yl)propanoate
SMILESCOC(=O)CCC1(OC)C=CC(OC)O1
InChIInChI=1S/C10H16O5/c1-12-8(11)4-6-10(14-3)7-5-9(13-2)15-10/h5,7,9H,4,6H2,1-3H3
InChIKeyVJVSWRCPZLEYMR-UHFFFAOYSA-N
XLogP0.84
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,5-Dimethoxy-2,5-dihydrofuryl-3-butanone
CID 12937296
methyl (E)-6-(oxan-2-yloxy)hex-4-enoate
CID 13860243
3-(2,5-dimethoxy-2H-furan-5-yl)propyl acetate
CID 44719214
Methyl 4-oxo-7,7-dimethoxy-5-heptenoate
CID 85761894
ethyl (Z,4S)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(methoxymethoxy)non-5-enoate
CID 10980857
1-(2,5-dimethoxy-2H-furan-5-yl)propan-2-yl acetate
CID 121223531
methyl (Z)-6-(oxan-2-yloxy)hex-4-enoate
CID 11310730
2,5-Dihydro-2,5-dimethoxy-2-(3'-oxopropyl)furan
CID 12770868
methyl (Z)-8-(2,5-dimethoxy-2H-furan-5-yl)oct-5-enoate
CID 13036800
methyl 4-[(Z)-1-(4-methoxy-4-oxobutoxy)pentadec-2-enoxy]butanoate
CID 15003173
(5-Pentanoyloxy-2,5-dihydrofuran-2-yl) pentanoate
CID 19107834
ethyl (E)-7,7,7-triethoxyhept-5-enoate
CID 20552418

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,5-dimethoxy-2H-furan-5-yl)propanoate?
The IUPAC name of methyl 3-(2,5-dimethoxy-2H-furan-5-yl)propanoate (CID 13149550) is methyl 3-(2,5-dimethoxy-2H-furan-5-yl)propanoate.
What is the SMILES notation for methyl 3-(2,5-dimethoxy-2H-furan-5-yl)propanoate?
The canonical SMILES for methyl 3-(2,5-dimethoxy-2H-furan-5-yl)propanoate is COC(=O)CCC1(OC)C=CC(OC)O1.
What is the InChIKey of methyl 3-(2,5-dimethoxy-2H-furan-5-yl)propanoate?
The InChIKey is VJVSWRCPZLEYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-12-8(11)4-6-10(14-3)7-5-9(13-2)15-10/h5,7,9H,4,6H2,1-3H3.
What are the key properties of methyl 3-(2,5-dimethoxy-2H-furan-5-yl)propanoate?
methyl 3-(2,5-dimethoxy-2H-furan-5-yl)propanoate has a molecular weight of 216.23 g/mol, XLogP of 0.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,5-dimethoxy-2H-furan-5-yl)propanoate is sourced from PubChem (CID 13149550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).