[3-(5-tert-butylfuran-2-carbonyl)oxy-2,2,4,4-tetramethylcyclobutyl] 5-acetylfuran-2-carboxylate

C24H30O7 — CID 167623936

IUPAC[3-(5-tert-butylfuran-2-carbonyl)oxy-2,2,4,4-tetramethylcyclobutyl] 5-acetylfuran-2-carboxylate
SMILESCC(=O)c1ccc(C(=O)OC2C(C)(C)C(OC(=O)c3ccc(C(C)(C)C)o3)C2(C)C)o1
InChIInChI=1S/C24H30O7/c1-13(25)14-9-10-15(28-14)18(26)30-20-23(5,6)21(24(20,7)8)31-19(27)16-11-12-17(29-16)22(2,3)4/h9-12,20-21H,1-8H3
InChIKeyICKZDRNNBVBMEN-UHFFFAOYSA-N
MW430.50 g/mol
LogP5.19
Rot. Bonds5

About [3-(5-tert-butylfuran-2-carbonyl)oxy-2,2,4,4-tetramethylcyclobutyl] 5-acetylfuran-2-carboxylate

[3-(5-tert-butylfuran-2-carbonyl)oxy-2,2,4,4-tetramethylcyclobutyl] 5-acetylfuran-2-carboxylate (PubChem CID 167623936) has the molecular formula C24H30O7 and a molecular weight of 430.50 g/mol. Its IUPAC name is [3-(5-tert-butylfuran-2-carbonyl)oxy-2,2,4,4-tetramethylcyclobutyl] 5-acetylfuran-2-carboxylate.

Molecular Properties

Compound Name[3-(5-tert-butylfuran-2-carbonyl)oxy-2,2,4,4-tetramethylcyclobutyl] 5-acetylfuran-2-carboxylate
PubChem CID167623936
Molecular FormulaC24H30O7
Molecular Weight430.50 g/mol
Exact Mass430.20
IUPAC Name[3-(5-tert-butylfuran-2-carbonyl)oxy-2,2,4,4-tetramethylcyclobutyl] 5-acetylfuran-2-carboxylate
SMILESCC(=O)c1ccc(C(=O)OC2C(C)(C)C(OC(=O)c3ccc(C(C)(C)C)o3)C2(C)C)o1
InChIInChI=1S/C24H30O7/c1-13(25)14-9-10-15(28-14)18(26)30-20-23(5,6)21(24(20,7)8)31-19(27)16-11-12-17(29-16)22(2,3)4/h9-12,20-21H,1-8H3
InChIKeyICKZDRNNBVBMEN-UHFFFAOYSA-N
XLogP5.19
TPSA95.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.50
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(5-tert-butylfuran-2-carbonyl)oxy-2,2,4,4-tetramethylcyclobutyl] 5-acetylfuran-2-carboxylate?
The IUPAC name of [3-(5-tert-butylfuran-2-carbonyl)oxy-2,2,4,4-tetramethylcyclobutyl] 5-acetylfuran-2-carboxylate (CID 167623936) is [3-(5-tert-butylfuran-2-carbonyl)oxy-2,2,4,4-tetramethylcyclobutyl] 5-acetylfuran-2-carboxylate.
What is the SMILES notation for [3-(5-tert-butylfuran-2-carbonyl)oxy-2,2,4,4-tetramethylcyclobutyl] 5-acetylfuran-2-carboxylate?
The canonical SMILES for [3-(5-tert-butylfuran-2-carbonyl)oxy-2,2,4,4-tetramethylcyclobutyl] 5-acetylfuran-2-carboxylate is CC(=O)c1ccc(C(=O)OC2C(C)(C)C(OC(=O)c3ccc(C(C)(C)C)o3)C2(C)C)o1.
What is the InChIKey of [3-(5-tert-butylfuran-2-carbonyl)oxy-2,2,4,4-tetramethylcyclobutyl] 5-acetylfuran-2-carboxylate?
The InChIKey is ICKZDRNNBVBMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O7/c1-13(25)14-9-10-15(28-14)18(26)30-20-23(5,6)21(24(20,7)8)31-19(27)16-11-12-17(29-16)22(2,3)4/h9-12,20-21H,1-8H3.
What are the key properties of [3-(5-tert-butylfuran-2-carbonyl)oxy-2,2,4,4-tetramethylcyclobutyl] 5-acetylfuran-2-carboxylate?
[3-(5-tert-butylfuran-2-carbonyl)oxy-2,2,4,4-tetramethylcyclobutyl] 5-acetylfuran-2-carboxylate has a molecular weight of 430.50 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-tert-butylfuran-2-carbonyl)oxy-2,2,4,4-tetramethylcyclobutyl] 5-acetylfuran-2-carboxylate is sourced from PubChem (CID 167623936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).