dimethyl 2-oxo-5-(2,4,5-trimethoxyphenyl)oxolane-3,4-dicarboxylate

C17H20O9 — CID 3840659

IUPACdimethyl 2-oxo-5-(2,4,5-trimethoxyphenyl)oxolane-3,4-dicarboxylate
SMILESCOC(=O)C1C(=O)OC(c2cc(OC)c(OC)cc2OC)C1C(=O)OC
InChIInChI=1S/C17H20O9/c1-21-9-7-11(23-3)10(22-2)6-8(9)14-12(15(18)24-4)13(16(19)25-5)17(20)26-14/h6-7,12-14H,1-5H3
InChIKeyQUDJBVIBHMSYIT-UHFFFAOYSA-N
MW368.34 g/mol
LogP0.89
Rot. Bonds6

About dimethyl 2-oxo-5-(2,4,5-trimethoxyphenyl)oxolane-3,4-dicarboxylate

dimethyl 2-oxo-5-(2,4,5-trimethoxyphenyl)oxolane-3,4-dicarboxylate (PubChem CID 3840659) has the molecular formula C17H20O9 and a molecular weight of 368.34 g/mol. Its IUPAC name is dimethyl 2-oxo-5-(2,4,5-trimethoxyphenyl)oxolane-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-oxo-5-(2,4,5-trimethoxyphenyl)oxolane-3,4-dicarboxylate
PubChem CID3840659
Molecular FormulaC17H20O9
Molecular Weight368.34 g/mol
Exact Mass368.11
IUPAC Namedimethyl 2-oxo-5-(2,4,5-trimethoxyphenyl)oxolane-3,4-dicarboxylate
SMILESCOC(=O)C1C(=O)OC(c2cc(OC)c(OC)cc2OC)C1C(=O)OC
InChIInChI=1S/C17H20O9/c1-21-9-7-11(23-3)10(22-2)6-8(9)14-12(15(18)24-4)13(16(19)25-5)17(20)26-14/h6-7,12-14H,1-5H3
InChIKeyQUDJBVIBHMSYIT-UHFFFAOYSA-N
XLogP0.89
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl (3S,4R,5R)-5-(3,4-dimethoxyphenyl)-4-methyl-2-oxooxolane-3-carboxylate
CID 10637526
dimethyl (1S,2S,3R,4R)-3,4-bis(3,4,5-trimethoxyphenyl)cyclobutane-1,2-dicarboxylate
CID 122215201
dimethyl (1S,5S,6S,7S)-7-iodo-3-oxo-2-oxabicyclo[3.2.0]heptane-4,6-dicarboxylate
CID 135041164
methyl (3S,3aS,4R,9bS)-7-methoxy-4-(4-methoxyphenyl)-2-oxo-3,3a,4,9b-tetrahydrofuro[3,2-c]chromene-3-carboxylate
CID 102289558
(2R)-2-methyl-3-(2,4,5-trimethoxyphenyl)oxirane
CID 165363851
methyl 4-methylidene-2-sulfanylidene-6-(2,4,5-trimethoxyphenyl)-1,3-diazinane-5-carboxylate
CID 5051850
3,4-dibromo-2-(2,4,5-trimethoxyphenyl)-2H-furan-5-one
CID 102401380
5,6-dimethoxy-3-oxo-1H-2-benzofuran-1-carboxylic acid
CID 13221162
dimethyl (1R,8R,9S,10S)-4,5-dimethoxy-1-pyridin-4-yl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-dicarboxylate
CID 101182871
methyl 6-methyl-2-oxo-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2867495
3-(2,4,5-trimethoxyphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 90790124
6-methyl-2-oxo-N-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 3107278

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-oxo-5-(2,4,5-trimethoxyphenyl)oxolane-3,4-dicarboxylate?
The IUPAC name of dimethyl 2-oxo-5-(2,4,5-trimethoxyphenyl)oxolane-3,4-dicarboxylate (CID 3840659) is dimethyl 2-oxo-5-(2,4,5-trimethoxyphenyl)oxolane-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-oxo-5-(2,4,5-trimethoxyphenyl)oxolane-3,4-dicarboxylate?
The canonical SMILES for dimethyl 2-oxo-5-(2,4,5-trimethoxyphenyl)oxolane-3,4-dicarboxylate is COC(=O)C1C(=O)OC(c2cc(OC)c(OC)cc2OC)C1C(=O)OC.
What is the InChIKey of dimethyl 2-oxo-5-(2,4,5-trimethoxyphenyl)oxolane-3,4-dicarboxylate?
The InChIKey is QUDJBVIBHMSYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O9/c1-21-9-7-11(23-3)10(22-2)6-8(9)14-12(15(18)24-4)13(16(19)25-5)17(20)26-14/h6-7,12-14H,1-5H3.
What are the key properties of dimethyl 2-oxo-5-(2,4,5-trimethoxyphenyl)oxolane-3,4-dicarboxylate?
dimethyl 2-oxo-5-(2,4,5-trimethoxyphenyl)oxolane-3,4-dicarboxylate has a molecular weight of 368.34 g/mol, XLogP of 0.89, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-oxo-5-(2,4,5-trimethoxyphenyl)oxolane-3,4-dicarboxylate is sourced from PubChem (CID 3840659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).