2-hydroxy-3-[6-hydroxy-5-[(E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one

C24H34O5 — CID 10363757

About 2-hydroxy-3-[6-hydroxy-5-[(E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one

2-hydroxy-3-[6-hydroxy-5-[(E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one (PubChem CID 10363757) has the molecular formula C24H34O5 and a molecular weight of 402.53 g/mol. Its IUPAC name is 2-hydroxy-3-[6-hydroxy-5-[(E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one.

Molecular Properties

• Compound Name: 2-hydroxy-3-[6-hydroxy-5-[(E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one
• PubChem CID: 10363757
• Molecular Formula: C24H34O5
• Molecular Weight: 402.53 g/mol
• Exact Mass: 402.24
• IUPAC Name: 2-hydroxy-3-[6-hydroxy-5-[(E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one
• SMILES: CC1=C(CC/C(C)=C/CC2=CCC(C3=CC(=O)OC3O)OC2O)C(C)(C)CCC1
• InChI: InChI=1S/C24H34O5/c1-15(8-11-19-16(2)6-5-13-24(19,3)4)7-9-17-10-12-20(28-22(17)26)18-14-21(25)29-23(18)27/h7,10,14,20,22-23,26-27H,5-6,8-9,11-13H2,1-4H3/b15-7+
• InChIKey: RWGUHYHZCBNWOW-VIZOYTHASA-N
• XLogP: 4.46
• TPSA: 75.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.53
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	2
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 2-hydroxy-3-[6-hydroxy-5-[(E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one?

The IUPAC name of 2-hydroxy-3-[6-hydroxy-5-[(E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one (CID 10363757) is 2-hydroxy-3-[6-hydroxy-5-[(E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one.

What is the SMILES notation for 2-hydroxy-3-[6-hydroxy-5-[(E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one?

The canonical SMILES for 2-hydroxy-3-[6-hydroxy-5-[(E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one is CC1=C(CC/C(C)=C/CC2=CCC(C3=CC(=O)OC3O)OC2O)C(C)(C)CCC1.

What is the InChIKey of 2-hydroxy-3-[6-hydroxy-5-[(E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one?

The InChIKey is RWGUHYHZCBNWOW-VIZOYTHASA-N. The full InChI is InChI=1S/C24H34O5/c1-15(8-11-19-16(2)6-5-13-24(19,3)4)7-9-17-10-12-20(28-22(17)26)18-14-21(25)29-23(18)27/h7,10,14,20,22-23,26-27H,5-6,8-9,11-13H2,1-4H3/b15-7+.

What are the key properties of 2-hydroxy-3-[6-hydroxy-5-[(E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one?

2-hydroxy-3-[6-hydroxy-5-[(E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one has a molecular weight of 402.53 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-3-[6-hydroxy-5-[(E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one is sourced from PubChem (CID 10363757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).