[4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate;ethane;ethenol;methanol

C30H44O5 — CID 143438082

About [4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate;ethane;ethenol;methanol

[4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate;ethane;ethenol;methanol (PubChem CID 143438082) has the molecular formula C30H44O5 and a molecular weight of 484.68 g/mol. Its IUPAC name is [4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate;ethane;ethenol;methanol.

Molecular Properties

• Compound Name: [4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate;ethane;ethenol;methanol
• PubChem CID: 143438082
• Molecular Formula: C30H44O5
• Molecular Weight: 484.68 g/mol
• Exact Mass: 484.32
• IUPAC Name: [4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate;ethane;ethenol;methanol
• SMILES: C=CO.CC.CC(C)(CCc1ccc2c(c1)CCO2)COC(=O)Cc1ccc2c(c1)CCC2.CO
• InChI: InChI=1S/C25H30O3.C2H4O.C2H6.CH4O/c1-25(2,12-10-18-7-9-23-22(14-18)11-13-27-23)17-28-24(26)16-19-6-8-20-4-3-5-21(20)15-19;1-2-3;2*1-2/h6-9,14-15H,3-5,10-13,16-17H2,1-2H3;2-3H,1H2;1-2H3;2H,1H3
• InChIKey: RHAUNSVCAIEMFN-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 75.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.68
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate;ethane;ethenol;methanol?

The IUPAC name of [4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate;ethane;ethenol;methanol (CID 143438082) is [4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate;ethane;ethenol;methanol.

What is the SMILES notation for [4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate;ethane;ethenol;methanol?

The canonical SMILES for [4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate;ethane;ethenol;methanol is C=CO.CC.CC(C)(CCc1ccc2c(c1)CCO2)COC(=O)Cc1ccc2c(c1)CCC2.CO.

What is the InChIKey of [4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate;ethane;ethenol;methanol?

The InChIKey is RHAUNSVCAIEMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30O3.C2H4O.C2H6.CH4O/c1-25(2,12-10-18-7-9-23-22(14-18)11-13-27-23)17-28-24(26)16-19-6-8-20-4-3-5-21(20)15-19;1-2-3;2*1-2/h6-9,14-15H,3-5,10-13,16-17H2,1-2H3;2-3H,1H2;1-2H3;2H,1H3.

What are the key properties of [4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate;ethane;ethenol;methanol?

[4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate;ethane;ethenol;methanol has a molecular weight of 484.68 g/mol, XLogP of 6.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate;ethane;ethenol;methanol is sourced from PubChem (CID 143438082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).