diethyl 2-dibenzofuran-2-yl-2-methylpropanedioate

C20H20O5 — CID 163791926

IUPACdiethyl 2-dibenzofuran-2-yl-2-methylpropanedioate
SMILESCCOC(=O)C(C)(C(=O)OCC)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C20H20O5/c1-4-23-18(21)20(3,19(22)24-5-2)13-10-11-17-15(12-13)14-8-6-7-9-16(14)25-17/h6-12H,4-5H2,1-3H3
InChIKeyMXNFNCUDRQPWKC-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.97
Rot. Bonds5

About diethyl 2-dibenzofuran-2-yl-2-methylpropanedioate

diethyl 2-dibenzofuran-2-yl-2-methylpropanedioate (PubChem CID 163791926) has the molecular formula C20H20O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is diethyl 2-dibenzofuran-2-yl-2-methylpropanedioate.

Molecular Properties

Compound Namediethyl 2-dibenzofuran-2-yl-2-methylpropanedioate
PubChem CID163791926
Molecular FormulaC20H20O5
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Namediethyl 2-dibenzofuran-2-yl-2-methylpropanedioate
SMILESCCOC(=O)C(C)(C(=O)OCC)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C20H20O5/c1-4-23-18(21)20(3,19(22)24-5-2)13-10-11-17-15(12-13)14-8-6-7-9-16(14)25-17/h6-12H,4-5H2,1-3H3
InChIKeyMXNFNCUDRQPWKC-UHFFFAOYSA-N
XLogP3.97
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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2-(6-tert-butyl-11-dibenzofuran-2-yltriphenylen-2-yl)dibenzofuran
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CID 11858911

Frequently Asked Questions

What is the IUPAC name of diethyl 2-dibenzofuran-2-yl-2-methylpropanedioate?
The IUPAC name of diethyl 2-dibenzofuran-2-yl-2-methylpropanedioate (CID 163791926) is diethyl 2-dibenzofuran-2-yl-2-methylpropanedioate.
What is the SMILES notation for diethyl 2-dibenzofuran-2-yl-2-methylpropanedioate?
The canonical SMILES for diethyl 2-dibenzofuran-2-yl-2-methylpropanedioate is CCOC(=O)C(C)(C(=O)OCC)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of diethyl 2-dibenzofuran-2-yl-2-methylpropanedioate?
The InChIKey is MXNFNCUDRQPWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O5/c1-4-23-18(21)20(3,19(22)24-5-2)13-10-11-17-15(12-13)14-8-6-7-9-16(14)25-17/h6-12H,4-5H2,1-3H3.
What are the key properties of diethyl 2-dibenzofuran-2-yl-2-methylpropanedioate?
diethyl 2-dibenzofuran-2-yl-2-methylpropanedioate has a molecular weight of 340.38 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-dibenzofuran-2-yl-2-methylpropanedioate is sourced from PubChem (CID 163791926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).