5-hydroxy-7-(5-hydroxy-2,2-dimethylchromen-6-yl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one

C30H30O6 — CID 163094428

About 5-hydroxy-7-(5-hydroxy-2,2-dimethylchromen-6-yl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one

5-hydroxy-7-(5-hydroxy-2,2-dimethylchromen-6-yl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one (PubChem CID 163094428) has the molecular formula C30H30O6 and a molecular weight of 486.56 g/mol. Its IUPAC name is 5-hydroxy-7-(5-hydroxy-2,2-dimethylchromen-6-yl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one.

Molecular Properties

• Compound Name: 5-hydroxy-7-(5-hydroxy-2,2-dimethylchromen-6-yl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one
• PubChem CID: 163094428
• Molecular Formula: C30H30O6
• Molecular Weight: 486.56 g/mol
• Exact Mass: 486.20
• IUPAC Name: 5-hydroxy-7-(5-hydroxy-2,2-dimethylchromen-6-yl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one
• SMILES: CC(C)=CCc1c2c(c(O)c3c(=O)c(-c4ccc5c(c4O)C=CC(C)(C)O5)coc13)C=CC(C)(C)O2
• InChI: InChI=1S/C30H30O6/c1-16(2)7-8-20-27-19(12-14-30(5,6)36-27)25(32)23-26(33)21(15-34-28(20)23)17-9-10-22-18(24(17)31)11-13-29(3,4)35-22/h7,9-15,31-32H,8H2,1-6H3
• InChIKey: LCEMTZQRUYHCMC-UHFFFAOYSA-N
• XLogP: 6.75
• TPSA: 89.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.56
LogP ≤ 5	6.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7-(5-hydroxy-2,2-dimethylchromen-6-yl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one?

The IUPAC name of 5-hydroxy-7-(5-hydroxy-2,2-dimethylchromen-6-yl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one (CID 163094428) is 5-hydroxy-7-(5-hydroxy-2,2-dimethylchromen-6-yl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one.

What is the SMILES notation for 5-hydroxy-7-(5-hydroxy-2,2-dimethylchromen-6-yl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one?

The canonical SMILES for 5-hydroxy-7-(5-hydroxy-2,2-dimethylchromen-6-yl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one is CC(C)=CCc1c2c(c(O)c3c(=O)c(-c4ccc5c(c4O)C=CC(C)(C)O5)coc13)C=CC(C)(C)O2.

What is the InChIKey of 5-hydroxy-7-(5-hydroxy-2,2-dimethylchromen-6-yl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one?

The InChIKey is LCEMTZQRUYHCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O6/c1-16(2)7-8-20-27-19(12-14-30(5,6)36-27)25(32)23-26(33)21(15-34-28(20)23)17-9-10-22-18(24(17)31)11-13-29(3,4)35-22/h7,9-15,31-32H,8H2,1-6H3.

What are the key properties of 5-hydroxy-7-(5-hydroxy-2,2-dimethylchromen-6-yl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one?

5-hydroxy-7-(5-hydroxy-2,2-dimethylchromen-6-yl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one has a molecular weight of 486.56 g/mol, XLogP of 6.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-hydroxy-7-(5-hydroxy-2,2-dimethylchromen-6-yl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one is sourced from PubChem (CID 163094428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).