(2R)-5,7-dihydroxy-2-(8-hydroxy-2,2-dimethylchromen-6-yl)-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one

C30H34O6 — CID 163060313

About (2R)-5,7-dihydroxy-2-(8-hydroxy-2,2-dimethylchromen-6-yl)-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one

(2R)-5,7-dihydroxy-2-(8-hydroxy-2,2-dimethylchromen-6-yl)-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one (PubChem CID 163060313) has the molecular formula C30H34O6 and a molecular weight of 490.60 g/mol. Its IUPAC name is (2R)-5,7-dihydroxy-2-(8-hydroxy-2,2-dimethylchromen-6-yl)-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one.

Molecular Properties

• Compound Name: (2R)-5,7-dihydroxy-2-(8-hydroxy-2,2-dimethylchromen-6-yl)-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
• PubChem CID: 163060313
• Molecular Formula: C30H34O6
• Molecular Weight: 490.60 g/mol
• Exact Mass: 490.24
• IUPAC Name: (2R)-5,7-dihydroxy-2-(8-hydroxy-2,2-dimethylchromen-6-yl)-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
• SMILES: CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C[C@H](c1cc(O)c3c(c1)C=CC(C)(C)O3)O2
• InChI: InChI=1S/C30H34O6/c1-16(2)7-9-20-26(33)21(10-8-17(3)4)29-25(27(20)34)22(31)15-24(35-29)19-13-18-11-12-30(5,6)36-28(18)23(32)14-19/h7-8,11-14,24,32-34H,9-10,15H2,1-6H3/t24-/m1/s1
• InChIKey: XESZEJDJGPNKIH-XMMPIXPASA-N
• XLogP: 6.71
• TPSA: 96.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.60
LogP ≤ 5	6.71
H-Bond Donors ≤ 5	3
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 (2R)-5,7-dihydroxy-2-(8-hydroxy-2,2-dimethylchromen-6-yl)-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one?

The IUPAC name of (2R)-5,7-dihydroxy-2-(8-hydroxy-2,2-dimethylchromen-6-yl)-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one (CID 163060313) is (2R)-5,7-dihydroxy-2-(8-hydroxy-2,2-dimethylchromen-6-yl)-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one.

What is the SMILES notation for (2R)-5,7-dihydroxy-2-(8-hydroxy-2,2-dimethylchromen-6-yl)-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one?

The canonical SMILES for (2R)-5,7-dihydroxy-2-(8-hydroxy-2,2-dimethylchromen-6-yl)-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one is CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C[C@H](c1cc(O)c3c(c1)C=CC(C)(C)O3)O2.

What is the InChIKey of (2R)-5,7-dihydroxy-2-(8-hydroxy-2,2-dimethylchromen-6-yl)-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one?

The InChIKey is XESZEJDJGPNKIH-XMMPIXPASA-N. The full InChI is InChI=1S/C30H34O6/c1-16(2)7-9-20-26(33)21(10-8-17(3)4)29-25(27(20)34)22(31)15-24(35-29)19-13-18-11-12-30(5,6)36-28(18)23(32)14-19/h7-8,11-14,24,32-34H,9-10,15H2,1-6H3/t24-/m1/s1.

What are the key properties of (2R)-5,7-dihydroxy-2-(8-hydroxy-2,2-dimethylchromen-6-yl)-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one?

(2R)-5,7-dihydroxy-2-(8-hydroxy-2,2-dimethylchromen-6-yl)-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one has a molecular weight of 490.60 g/mol, XLogP of 6.71, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-5,7-dihydroxy-2-(8-hydroxy-2,2-dimethylchromen-6-yl)-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 163060313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).