Chemical Properties of Furan-3-carboxylic acid, 4-methyl-2-(2-methoxycarbonylethyl)-5-(4-oxopentyl), methyl ester

Furan-3-carboxylic acid, 4-methyl-2-(2-methoxycarbonylethyl)-5-(4-oxopentyl), methyl ester

InChI
InChI=1S/C16H22O6/c1-10(17)6-5-7-12-11(2)15(16(19)21-4)13(22-12)8-9-14(18)20-3/h5-9H2,1-4H3
InChI Key
FXPPITHUWLIKGN-UHFFFAOYSA-N
Formula
C16H22O6
SMILES
COC(=O)CCc1oc(CCCC(C)=O)c(C)c1C(=O)OC
Molecular Weight1
310.34
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
IE 8.28 eV Relay (1.0) Calculated Property
logPoct/wat 2.392 Crippen Calculated Property
McVol 239.160 ml/mol McGowan Calculated Property
Inp [2100.00; 2100.00]   Show Hide
Inp 2100.00 NIST
Inp 2100.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Furan-3-carboxylic acid, 4-methyl-2-(2-methoxycarbonylethyl)-5-(4-hydroxypentyl), methyl ester. 3-Carboxy-4-methyl-5-propyl-2-furanpropionic acid, dimethyl ester. 2-(2-Methoxycarbonyl-ethyl)-4-methyl-5-pentyl-furan-3-carboxylic acid methyl ester. Furan-3-carboxylic acid, 5-ethyl-4-methyl-2-(2-methoxycarbonylethyl), methyl ester. Yohimbine. (2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane. Hypoxanthine-7-ethanol, 2,3-dihydro-3-(diphenylmethyl)-, acetate. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. Ibogaine. uridine-2'(3')-monophosphate, TMS. Indane-cis-1,2-diol, 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Guanosine, N-trimethylsilyl-, 2',3',5'-tris(trimethylsilyl) ether. (1,S,2S,3R,5S)-(+)-Pinanediol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. ERGOTAMINE.

Find more compounds similar to Furan-3-carboxylic acid, 4-methyl-2-(2-methoxycarbonylethyl)-5-(4-oxopentyl), methyl ester.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.