1-O'-(furan-3-ylmethyl) 1-O-methyl 2-ethenylcyclopropane-1,1-dicarboxylate

C13H14O5 — CID 13137097

IUPAC1-O'-(furan-3-ylmethyl) 1-O-methyl 2-ethenylcyclopropane-1,1-dicarboxylate
SMILESC=CC1CC1(C(=O)OC)C(=O)OCc1ccoc1
InChIInChI=1S/C13H14O5/c1-3-10-6-13(10,11(14)16-2)12(15)18-8-9-4-5-17-7-9/h3-5,7,10H,1,6,8H2,2H3
InChIKeyRRLBGFWVDDMCBC-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.69
Rot. Bonds5

About 1-O'-(furan-3-ylmethyl) 1-O-methyl 2-ethenylcyclopropane-1,1-dicarboxylate

1-O'-(furan-3-ylmethyl) 1-O-methyl 2-ethenylcyclopropane-1,1-dicarboxylate (PubChem CID 13137097) has the molecular formula C13H14O5 and a molecular weight of 250.25 g/mol. Its IUPAC name is 1-O'-(furan-3-ylmethyl) 1-O-methyl 2-ethenylcyclopropane-1,1-dicarboxylate.

Molecular Properties

Compound Name1-O'-(furan-3-ylmethyl) 1-O-methyl 2-ethenylcyclopropane-1,1-dicarboxylate
PubChem CID13137097
Molecular FormulaC13H14O5
Molecular Weight250.25 g/mol
Exact Mass250.08
IUPAC Name1-O'-(furan-3-ylmethyl) 1-O-methyl 2-ethenylcyclopropane-1,1-dicarboxylate
SMILESC=CC1CC1(C(=O)OC)C(=O)OCc1ccoc1
InChIInChI=1S/C13H14O5/c1-3-10-6-13(10,11(14)16-2)12(15)18-8-9-4-5-17-7-9/h3-5,7,10H,1,6,8H2,2H3
InChIKeyRRLBGFWVDDMCBC-UHFFFAOYSA-N
XLogP1.69
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.69
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 1-O'-(furan-3-ylmethyl) 1-O-methyl 2-ethenylcyclopropane-1,1-dicarboxylate?
The IUPAC name of 1-O'-(furan-3-ylmethyl) 1-O-methyl 2-ethenylcyclopropane-1,1-dicarboxylate (CID 13137097) is 1-O'-(furan-3-ylmethyl) 1-O-methyl 2-ethenylcyclopropane-1,1-dicarboxylate.
What is the SMILES notation for 1-O'-(furan-3-ylmethyl) 1-O-methyl 2-ethenylcyclopropane-1,1-dicarboxylate?
The canonical SMILES for 1-O'-(furan-3-ylmethyl) 1-O-methyl 2-ethenylcyclopropane-1,1-dicarboxylate is C=CC1CC1(C(=O)OC)C(=O)OCc1ccoc1.
What is the InChIKey of 1-O'-(furan-3-ylmethyl) 1-O-methyl 2-ethenylcyclopropane-1,1-dicarboxylate?
The InChIKey is RRLBGFWVDDMCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O5/c1-3-10-6-13(10,11(14)16-2)12(15)18-8-9-4-5-17-7-9/h3-5,7,10H,1,6,8H2,2H3.
What are the key properties of 1-O'-(furan-3-ylmethyl) 1-O-methyl 2-ethenylcyclopropane-1,1-dicarboxylate?
1-O'-(furan-3-ylmethyl) 1-O-methyl 2-ethenylcyclopropane-1,1-dicarboxylate has a molecular weight of 250.25 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O'-(furan-3-ylmethyl) 1-O-methyl 2-ethenylcyclopropane-1,1-dicarboxylate is sourced from PubChem (CID 13137097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).