6-[7-hydroxy-6-(2-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-2-yl]-2,2-dimethyl-5-(3-methylbut-2-enyl)-3,4-dihydrochromene-3,8-diol

C30H38O5 — CID 10838380

About 6-[7-hydroxy-6-(2-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-2-yl]-2,2-dimethyl-5-(3-methylbut-2-enyl)-3,4-dihydrochromene-3,8-diol

6-[7-hydroxy-6-(2-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-2-yl]-2,2-dimethyl-5-(3-methylbut-2-enyl)-3,4-dihydrochromene-3,8-diol (PubChem CID 10838380) has the molecular formula C30H38O5 and a molecular weight of 478.63 g/mol. Its IUPAC name is 6-[7-hydroxy-6-(2-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-2-yl]-2,2-dimethyl-5-(3-methylbut-2-enyl)-3,4-dihydrochromene-3,8-diol.

Molecular Properties

• Compound Name: 6-[7-hydroxy-6-(2-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-2-yl]-2,2-dimethyl-5-(3-methylbut-2-enyl)-3,4-dihydrochromene-3,8-diol
• PubChem CID: 10838380
• Molecular Formula: C30H38O5
• Molecular Weight: 478.63 g/mol
• Exact Mass: 478.27
• IUPAC Name: 6-[7-hydroxy-6-(2-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-2-yl]-2,2-dimethyl-5-(3-methylbut-2-enyl)-3,4-dihydrochromene-3,8-diol
• SMILES: C=CC(C)(C)c1cc2c(cc1O)OC(c1cc(O)c3c(c1CC=C(C)C)CC(O)C(C)(C)O3)CC2
• InChI: InChI=1S/C30H38O5/c1-8-29(4,5)22-13-18-10-12-25(34-26(18)16-23(22)31)20-14-24(32)28-21(19(20)11-9-17(2)3)15-27(33)30(6,7)35-28/h8-9,13-14,16,25,27,31-33H,1,10-12,15H2,2-7H3
• InChIKey: PXCDCCIOLQVCFE-UHFFFAOYSA-N
• XLogP: 6.21
• TPSA: 79.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.63
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[7-hydroxy-6-(2-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-2-yl]-2,2-dimethyl-5-(3-methylbut-2-enyl)-3,4-dihydrochromene-3,8-diol?

The IUPAC name of 6-[7-hydroxy-6-(2-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-2-yl]-2,2-dimethyl-5-(3-methylbut-2-enyl)-3,4-dihydrochromene-3,8-diol (CID 10838380) is 6-[7-hydroxy-6-(2-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-2-yl]-2,2-dimethyl-5-(3-methylbut-2-enyl)-3,4-dihydrochromene-3,8-diol.

What is the SMILES notation for 6-[7-hydroxy-6-(2-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-2-yl]-2,2-dimethyl-5-(3-methylbut-2-enyl)-3,4-dihydrochromene-3,8-diol?

The canonical SMILES for 6-[7-hydroxy-6-(2-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-2-yl]-2,2-dimethyl-5-(3-methylbut-2-enyl)-3,4-dihydrochromene-3,8-diol is C=CC(C)(C)c1cc2c(cc1O)OC(c1cc(O)c3c(c1CC=C(C)C)CC(O)C(C)(C)O3)CC2.

What is the InChIKey of 6-[7-hydroxy-6-(2-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-2-yl]-2,2-dimethyl-5-(3-methylbut-2-enyl)-3,4-dihydrochromene-3,8-diol?

The InChIKey is PXCDCCIOLQVCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38O5/c1-8-29(4,5)22-13-18-10-12-25(34-26(18)16-23(22)31)20-14-24(32)28-21(19(20)11-9-17(2)3)15-27(33)30(6,7)35-28/h8-9,13-14,16,25,27,31-33H,1,10-12,15H2,2-7H3.

What are the key properties of 6-[7-hydroxy-6-(2-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-2-yl]-2,2-dimethyl-5-(3-methylbut-2-enyl)-3,4-dihydrochromene-3,8-diol?

6-[7-hydroxy-6-(2-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-2-yl]-2,2-dimethyl-5-(3-methylbut-2-enyl)-3,4-dihydrochromene-3,8-diol has a molecular weight of 478.63 g/mol, XLogP of 6.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[7-hydroxy-6-(2-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-2-yl]-2,2-dimethyl-5-(3-methylbut-2-enyl)-3,4-dihydrochromene-3,8-diol is sourced from PubChem (CID 10838380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).