ethyl 6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclopropane]-1'-carboxylate

C13H20O6 — CID 75066740

IUPACethyl 6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclopropane]-1'-carboxylate
SMILESCCOC(=O)C1CC12OC(OC)C1OC(C)(C)OC12
InChIInChI=1S/C13H20O6/c1-5-16-10(14)7-6-13(7)9-8(11(15-4)19-13)17-12(2,3)18-9/h7-9,11H,5-6H2,1-4H3
InChIKeyNILSFOROIYHWLX-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.83
Rot. Bonds3

About ethyl 6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclopropane]-1'-carboxylate

ethyl 6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclopropane]-1'-carboxylate (PubChem CID 75066740) has the molecular formula C13H20O6 and a molecular weight of 272.30 g/mol. Its IUPAC name is ethyl 6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclopropane]-1'-carboxylate.

Molecular Properties

Compound Nameethyl 6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclopropane]-1'-carboxylate
PubChem CID75066740
Molecular FormulaC13H20O6
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Nameethyl 6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclopropane]-1'-carboxylate
SMILESCCOC(=O)C1CC12OC(OC)C1OC(C)(C)OC12
InChIInChI=1S/C13H20O6/c1-5-16-10(14)7-6-13(7)9-8(11(15-4)19-13)17-12(2,3)18-9/h7-9,11H,5-6H2,1-4H3
InChIKeyNILSFOROIYHWLX-UHFFFAOYSA-N
XLogP0.83
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclopropane]-1'-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclopropane]-1'-carboxylate?
The IUPAC name of ethyl 6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclopropane]-1'-carboxylate (CID 75066740) is ethyl 6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclopropane]-1'-carboxylate.
What is the SMILES notation for ethyl 6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclopropane]-1'-carboxylate?
The canonical SMILES for ethyl 6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclopropane]-1'-carboxylate is CCOC(=O)C1CC12OC(OC)C1OC(C)(C)OC12.
What is the InChIKey of ethyl 6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclopropane]-1'-carboxylate?
The InChIKey is NILSFOROIYHWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O6/c1-5-16-10(14)7-6-13(7)9-8(11(15-4)19-13)17-12(2,3)18-9/h7-9,11H,5-6H2,1-4H3.
What are the key properties of ethyl 6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclopropane]-1'-carboxylate?
ethyl 6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclopropane]-1'-carboxylate has a molecular weight of 272.30 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclopropane]-1'-carboxylate is sourced from PubChem (CID 75066740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).