dipropyl 2H-furan-5,5-dicarboxylate

C12H18O5 — CID 175044096

IUPACdipropyl 2H-furan-5,5-dicarboxylate
SMILESCCCOC(=O)C1(C(=O)OCCC)C=CCO1
InChIInChI=1S/C12H18O5/c1-3-7-15-10(13)12(6-5-9-17-12)11(14)16-8-4-2/h5-6H,3-4,7-9H2,1-2H3
InChIKeyAZMPWWDKLCOICZ-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.22
Rot. Bonds6

About dipropyl 2H-furan-5,5-dicarboxylate

dipropyl 2H-furan-5,5-dicarboxylate (PubChem CID 175044096) has the molecular formula C12H18O5 and a molecular weight of 242.27 g/mol. Its IUPAC name is dipropyl 2H-furan-5,5-dicarboxylate.

Molecular Properties

Compound Namedipropyl 2H-furan-5,5-dicarboxylate
PubChem CID175044096
Molecular FormulaC12H18O5
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Namedipropyl 2H-furan-5,5-dicarboxylate
SMILESCCCOC(=O)C1(C(=O)OCCC)C=CCO1
InChIInChI=1S/C12H18O5/c1-3-7-15-10(13)12(6-5-9-17-12)11(14)16-8-4-2/h5-6H,3-4,7-9H2,1-2H3
InChIKeyAZMPWWDKLCOICZ-UHFFFAOYSA-N
XLogP1.22
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dipropyl 2H-furan-5,5-dicarboxylate?
The IUPAC name of dipropyl 2H-furan-5,5-dicarboxylate (CID 175044096) is dipropyl 2H-furan-5,5-dicarboxylate.
What is the SMILES notation for dipropyl 2H-furan-5,5-dicarboxylate?
The canonical SMILES for dipropyl 2H-furan-5,5-dicarboxylate is CCCOC(=O)C1(C(=O)OCCC)C=CCO1.
What is the InChIKey of dipropyl 2H-furan-5,5-dicarboxylate?
The InChIKey is AZMPWWDKLCOICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O5/c1-3-7-15-10(13)12(6-5-9-17-12)11(14)16-8-4-2/h5-6H,3-4,7-9H2,1-2H3.
What are the key properties of dipropyl 2H-furan-5,5-dicarboxylate?
dipropyl 2H-furan-5,5-dicarboxylate has a molecular weight of 242.27 g/mol, XLogP of 1.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl 2H-furan-5,5-dicarboxylate is sourced from PubChem (CID 175044096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).