(2R,4aR,6R,7R,8S,8aR)-6-but-3-en-2-yloxy-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine

C31H34O6 — CID 10767783

About (2R,4aR,6R,7R,8S,8aR)-6-but-3-en-2-yloxy-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine

(2R,4aR,6R,7R,8S,8aR)-6-but-3-en-2-yloxy-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine (PubChem CID 10767783) has the molecular formula C31H34O6 and a molecular weight of 502.61 g/mol. Its IUPAC name is (2R,4aR,6R,7R,8S,8aR)-6-but-3-en-2-yloxy-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine.

Molecular Properties

• Compound Name: (2R,4aR,6R,7R,8S,8aR)-6-but-3-en-2-yloxy-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
• PubChem CID: 10767783
• Molecular Formula: C31H34O6
• Molecular Weight: 502.61 g/mol
• Exact Mass: 502.24
• IUPAC Name: (2R,4aR,6R,7R,8S,8aR)-6-but-3-en-2-yloxy-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
• SMILES: C=CC(C)O[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
• InChI: InChI=1S/C31H34O6/c1-3-22(2)35-31-29(33-20-24-15-9-5-10-16-24)28(32-19-23-13-7-4-8-14-23)27-26(36-31)21-34-30(37-27)25-17-11-6-12-18-25/h3-18,22,26-31H,1,19-21H2,2H3/t22?,26-,27-,28+,29-,30-,31-/m1/s1
• InChIKey: FYLDXYGRYFCDRE-SRTOHLCMSA-N
• XLogP: 5.59
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.61
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	0
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,4aR,6R,7R,8S,8aR)-6-but-3-en-2-yloxy-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?

The IUPAC name of (2R,4aR,6R,7R,8S,8aR)-6-but-3-en-2-yloxy-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine (CID 10767783) is (2R,4aR,6R,7R,8S,8aR)-6-but-3-en-2-yloxy-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine.

What is the SMILES notation for (2R,4aR,6R,7R,8S,8aR)-6-but-3-en-2-yloxy-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?

The canonical SMILES for (2R,4aR,6R,7R,8S,8aR)-6-but-3-en-2-yloxy-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine is C=CC(C)O[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.

What is the InChIKey of (2R,4aR,6R,7R,8S,8aR)-6-but-3-en-2-yloxy-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?

The InChIKey is FYLDXYGRYFCDRE-SRTOHLCMSA-N. The full InChI is InChI=1S/C31H34O6/c1-3-22(2)35-31-29(33-20-24-15-9-5-10-16-24)28(32-19-23-13-7-4-8-14-23)27-26(36-31)21-34-30(37-27)25-17-11-6-12-18-25/h3-18,22,26-31H,1,19-21H2,2H3/t22?,26-,27-,28+,29-,30-,31-/m1/s1.

What are the key properties of (2R,4aR,6R,7R,8S,8aR)-6-but-3-en-2-yloxy-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?

(2R,4aR,6R,7R,8S,8aR)-6-but-3-en-2-yloxy-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine has a molecular weight of 502.61 g/mol, XLogP of 5.59, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4aR,6R,7R,8S,8aR)-6-but-3-en-2-yloxy-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine is sourced from PubChem (CID 10767783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).