7-tert-butylspiro[1-benzofuran-3,5'-oxolane]-2,2'-dione

C15H16O4 — CID 11807424

IUPAC7-tert-butylspiro[1-benzofuran-3,5'-oxolane]-2,2'-dione
SMILESCC(C)(C)c1cccc2c1OC(=O)C21CCC(=O)O1
InChIInChI=1S/C15H16O4/c1-14(2,3)9-5-4-6-10-12(9)18-13(17)15(10)8-7-11(16)19-15/h4-6H,7-8H2,1-3H3
InChIKeyBPZFSTOKNZUYLZ-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.44
Rot. Bonds

About 7-tert-butylspiro[1-benzofuran-3,5'-oxolane]-2,2'-dione

7-tert-butylspiro[1-benzofuran-3,5'-oxolane]-2,2'-dione (PubChem CID 11807424) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 7-tert-butylspiro[1-benzofuran-3,5'-oxolane]-2,2'-dione.

Molecular Properties

Compound Name7-tert-butylspiro[1-benzofuran-3,5'-oxolane]-2,2'-dione
PubChem CID11807424
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name7-tert-butylspiro[1-benzofuran-3,5'-oxolane]-2,2'-dione
SMILESCC(C)(C)c1cccc2c1OC(=O)C21CCC(=O)O1
InChIInChI=1S/C15H16O4/c1-14(2,3)9-5-4-6-10-12(9)18-13(17)15(10)8-7-11(16)19-15/h4-6H,7-8H2,1-3H3
InChIKeyBPZFSTOKNZUYLZ-UHFFFAOYSA-N
XLogP2.44
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 7-tert-butylspiro[1-benzofuran-3,5'-oxolane]-2,2'-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-tert-butylspiro[1-benzofuran-3,5'-oxolane]-2,2'-dione?
The IUPAC name of 7-tert-butylspiro[1-benzofuran-3,5'-oxolane]-2,2'-dione (CID 11807424) is 7-tert-butylspiro[1-benzofuran-3,5'-oxolane]-2,2'-dione.
What is the SMILES notation for 7-tert-butylspiro[1-benzofuran-3,5'-oxolane]-2,2'-dione?
The canonical SMILES for 7-tert-butylspiro[1-benzofuran-3,5'-oxolane]-2,2'-dione is CC(C)(C)c1cccc2c1OC(=O)C21CCC(=O)O1.
What is the InChIKey of 7-tert-butylspiro[1-benzofuran-3,5'-oxolane]-2,2'-dione?
The InChIKey is BPZFSTOKNZUYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-14(2,3)9-5-4-6-10-12(9)18-13(17)15(10)8-7-11(16)19-15/h4-6H,7-8H2,1-3H3.
What are the key properties of 7-tert-butylspiro[1-benzofuran-3,5'-oxolane]-2,2'-dione?
7-tert-butylspiro[1-benzofuran-3,5'-oxolane]-2,2'-dione has a molecular weight of 260.29 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butylspiro[1-benzofuran-3,5'-oxolane]-2,2'-dione is sourced from PubChem (CID 11807424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).