3-O-tert-butyl 4-O-methyl 2,5-diethyloxolane-3,4-dicarboxylate

C15H26O5 — CID 21351654

IUPAC3-O-tert-butyl 4-O-methyl 2,5-diethyloxolane-3,4-dicarboxylate
SMILESCCC1OC(CC)C(C(=O)OC(C)(C)C)C1C(=O)OC
InChIInChI=1S/C15H26O5/c1-7-9-11(13(16)18-6)12(10(8-2)19-9)14(17)20-15(3,4)5/h9-12H,7-8H2,1-6H3
InChIKeyVCJVFSWGIPNHIJ-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.32
Rot. Bonds4

About 3-O-tert-butyl 4-O-methyl 2,5-diethyloxolane-3,4-dicarboxylate

3-O-tert-butyl 4-O-methyl 2,5-diethyloxolane-3,4-dicarboxylate (PubChem CID 21351654) has the molecular formula C15H26O5 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-O-tert-butyl 4-O-methyl 2,5-diethyloxolane-3,4-dicarboxylate.

Molecular Properties

Compound Name3-O-tert-butyl 4-O-methyl 2,5-diethyloxolane-3,4-dicarboxylate
PubChem CID21351654
Molecular FormulaC15H26O5
Molecular Weight286.37 g/mol
Exact Mass286.18
IUPAC Name3-O-tert-butyl 4-O-methyl 2,5-diethyloxolane-3,4-dicarboxylate
SMILESCCC1OC(CC)C(C(=O)OC(C)(C)C)C1C(=O)OC
InChIInChI=1S/C15H26O5/c1-7-9-11(13(16)18-6)12(10(8-2)19-9)14(17)20-15(3,4)5/h9-12H,7-8H2,1-6H3
InChIKeyVCJVFSWGIPNHIJ-UHFFFAOYSA-N
XLogP2.32
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-O-tert-butyl 4-O-methyl 2,5-diethyloxolane-3,4-dicarboxylate?
The IUPAC name of 3-O-tert-butyl 4-O-methyl 2,5-diethyloxolane-3,4-dicarboxylate (CID 21351654) is 3-O-tert-butyl 4-O-methyl 2,5-diethyloxolane-3,4-dicarboxylate.
What is the SMILES notation for 3-O-tert-butyl 4-O-methyl 2,5-diethyloxolane-3,4-dicarboxylate?
The canonical SMILES for 3-O-tert-butyl 4-O-methyl 2,5-diethyloxolane-3,4-dicarboxylate is CCC1OC(CC)C(C(=O)OC(C)(C)C)C1C(=O)OC.
What is the InChIKey of 3-O-tert-butyl 4-O-methyl 2,5-diethyloxolane-3,4-dicarboxylate?
The InChIKey is VCJVFSWGIPNHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O5/c1-7-9-11(13(16)18-6)12(10(8-2)19-9)14(17)20-15(3,4)5/h9-12H,7-8H2,1-6H3.
What are the key properties of 3-O-tert-butyl 4-O-methyl 2,5-diethyloxolane-3,4-dicarboxylate?
3-O-tert-butyl 4-O-methyl 2,5-diethyloxolane-3,4-dicarboxylate has a molecular weight of 286.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-tert-butyl 4-O-methyl 2,5-diethyloxolane-3,4-dicarboxylate is sourced from PubChem (CID 21351654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).