bis(cyclopropylmethyl) 2,5-diethylfuran-3,4-dicarboxylate

C18H24O5 — CID 70628559

IUPACbis(cyclopropylmethyl) 2,5-diethylfuran-3,4-dicarboxylate
SMILESCCc1oc(CC)c(C(=O)OCC2CC2)c1C(=O)OCC1CC1
InChIInChI=1S/C18H24O5/c1-3-13-15(17(19)21-9-11-5-6-11)16(14(4-2)23-13)18(20)22-10-12-7-8-12/h11-12H,3-10H2,1-2H3
InChIKeyKYNJSVLKXLCCLO-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.54
Rot. Bonds8

About bis(cyclopropylmethyl) 2,5-diethylfuran-3,4-dicarboxylate

bis(cyclopropylmethyl) 2,5-diethylfuran-3,4-dicarboxylate (PubChem CID 70628559) has the molecular formula C18H24O5 and a molecular weight of 320.39 g/mol. Its IUPAC name is bis(cyclopropylmethyl) 2,5-diethylfuran-3,4-dicarboxylate.

Molecular Properties

Compound Namebis(cyclopropylmethyl) 2,5-diethylfuran-3,4-dicarboxylate
PubChem CID70628559
Molecular FormulaC18H24O5
Molecular Weight320.39 g/mol
Exact Mass320.16
IUPAC Namebis(cyclopropylmethyl) 2,5-diethylfuran-3,4-dicarboxylate
SMILESCCc1oc(CC)c(C(=O)OCC2CC2)c1C(=O)OCC1CC1
InChIInChI=1S/C18H24O5/c1-3-13-15(17(19)21-9-11-5-6-11)16(14(4-2)23-13)18(20)22-10-12-7-8-12/h11-12H,3-10H2,1-2H3
InChIKeyKYNJSVLKXLCCLO-UHFFFAOYSA-N
XLogP3.54
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis(cyclopropylmethyl) 2,5-diethylfuran-3,4-dicarboxylate?
The IUPAC name of bis(cyclopropylmethyl) 2,5-diethylfuran-3,4-dicarboxylate (CID 70628559) is bis(cyclopropylmethyl) 2,5-diethylfuran-3,4-dicarboxylate.
What is the SMILES notation for bis(cyclopropylmethyl) 2,5-diethylfuran-3,4-dicarboxylate?
The canonical SMILES for bis(cyclopropylmethyl) 2,5-diethylfuran-3,4-dicarboxylate is CCc1oc(CC)c(C(=O)OCC2CC2)c1C(=O)OCC1CC1.
What is the InChIKey of bis(cyclopropylmethyl) 2,5-diethylfuran-3,4-dicarboxylate?
The InChIKey is KYNJSVLKXLCCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O5/c1-3-13-15(17(19)21-9-11-5-6-11)16(14(4-2)23-13)18(20)22-10-12-7-8-12/h11-12H,3-10H2,1-2H3.
What are the key properties of bis(cyclopropylmethyl) 2,5-diethylfuran-3,4-dicarboxylate?
bis(cyclopropylmethyl) 2,5-diethylfuran-3,4-dicarboxylate has a molecular weight of 320.39 g/mol, XLogP of 3.54, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopropylmethyl) 2,5-diethylfuran-3,4-dicarboxylate is sourced from PubChem (CID 70628559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).