bis(cyclopropylmethyl) furan-2,3-dicarboxylate

C14H16O5 — CID 70628396

IUPACbis(cyclopropylmethyl) furan-2,3-dicarboxylate
SMILESO=C(OCC1CC1)c1ccoc1C(=O)OCC1CC1
InChIInChI=1S/C14H16O5/c15-13(18-7-9-1-2-9)11-5-6-17-12(11)14(16)19-8-10-3-4-10/h5-6,9-10H,1-4,7-8H2
InChIKeyOMECSHSCZORYNS-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.41
Rot. Bonds6

About bis(cyclopropylmethyl) furan-2,3-dicarboxylate

bis(cyclopropylmethyl) furan-2,3-dicarboxylate (PubChem CID 70628396) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is bis(cyclopropylmethyl) furan-2,3-dicarboxylate.

Molecular Properties

Compound Namebis(cyclopropylmethyl) furan-2,3-dicarboxylate
PubChem CID70628396
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Namebis(cyclopropylmethyl) furan-2,3-dicarboxylate
SMILESO=C(OCC1CC1)c1ccoc1C(=O)OCC1CC1
InChIInChI=1S/C14H16O5/c15-13(18-7-9-1-2-9)11-5-6-17-12(11)14(16)19-8-10-3-4-10/h5-6,9-10H,1-4,7-8H2
InChIKeyOMECSHSCZORYNS-UHFFFAOYSA-N
XLogP2.41
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Furan-2,3-dicarboxylic Acid
CID 819550
Furan-2,4-dicarboxylic acid
CID 22280328
Methyl 2-methylfuran-3-carboxylate
CID 80237
Ethyl 2-Methyl-3-furoate
CID 261900
Dimethyl furan-2,4-dicarboxylate
CID 592845
Methyl 5-formyl-2-methylfuran-3-carboxylate
CID 2779820
Methyl 3-formylfuran-2-carboxylate
CID 9361734
Methyl 4-formyl-5-methylfuran-2-carboxylate
CID 15503958
Methyl 2-formylfuran-3-carboxylate
CID 15818585
3-Formylfuran-2-carboxylic acid
CID 16740249
Methyl 5-formylfuran-3-carboxylate
CID 18983630
2-Formylfuran-3-carboxylic acid
CID 53966520

Frequently Asked Questions

What is the IUPAC name of bis(cyclopropylmethyl) furan-2,3-dicarboxylate?
The IUPAC name of bis(cyclopropylmethyl) furan-2,3-dicarboxylate (CID 70628396) is bis(cyclopropylmethyl) furan-2,3-dicarboxylate.
What is the SMILES notation for bis(cyclopropylmethyl) furan-2,3-dicarboxylate?
The canonical SMILES for bis(cyclopropylmethyl) furan-2,3-dicarboxylate is O=C(OCC1CC1)c1ccoc1C(=O)OCC1CC1.
What is the InChIKey of bis(cyclopropylmethyl) furan-2,3-dicarboxylate?
The InChIKey is OMECSHSCZORYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O5/c15-13(18-7-9-1-2-9)11-5-6-17-12(11)14(16)19-8-10-3-4-10/h5-6,9-10H,1-4,7-8H2.
What are the key properties of bis(cyclopropylmethyl) furan-2,3-dicarboxylate?
bis(cyclopropylmethyl) furan-2,3-dicarboxylate has a molecular weight of 264.28 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopropylmethyl) furan-2,3-dicarboxylate is sourced from PubChem (CID 70628396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).