ditert-butyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate

C16H26O5 — CID 15367227

IUPACditert-butyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate
SMILESCCC1=C(C(=O)OC(C)(C)C)C(C(=O)OC(C)(C)C)OC1
InChIInChI=1S/C16H26O5/c1-8-10-9-19-12(14(18)21-16(5,6)7)11(10)13(17)20-15(2,3)4/h12H,8-9H2,1-7H3
InChIKeyLRBVBIQPWDFYMK-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.78
Rot. Bonds3

About ditert-butyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate

ditert-butyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate (PubChem CID 15367227) has the molecular formula C16H26O5 and a molecular weight of 298.38 g/mol. Its IUPAC name is ditert-butyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate.

Molecular Properties

Compound Nameditert-butyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate
PubChem CID15367227
Molecular FormulaC16H26O5
Molecular Weight298.38 g/mol
Exact Mass298.18
IUPAC Nameditert-butyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate
SMILESCCC1=C(C(=O)OC(C)(C)C)C(C(=O)OC(C)(C)C)OC1
InChIInChI=1S/C16H26O5/c1-8-10-9-19-12(14(18)21-16(5,6)7)11(10)13(17)20-15(2,3)4/h12H,8-9H2,1-7H3
InChIKeyLRBVBIQPWDFYMK-UHFFFAOYSA-N
XLogP2.78
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate?
The IUPAC name of ditert-butyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate (CID 15367227) is ditert-butyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate.
What is the SMILES notation for ditert-butyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate?
The canonical SMILES for ditert-butyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate is CCC1=C(C(=O)OC(C)(C)C)C(C(=O)OC(C)(C)C)OC1.
What is the InChIKey of ditert-butyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate?
The InChIKey is LRBVBIQPWDFYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O5/c1-8-10-9-19-12(14(18)21-16(5,6)7)11(10)13(17)20-15(2,3)4/h12H,8-9H2,1-7H3.
What are the key properties of ditert-butyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate?
ditert-butyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate has a molecular weight of 298.38 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate is sourced from PubChem (CID 15367227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).