(2R,4aR,6S,7S,8R,8aS)-6-pent-4-enoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol;dibutyltin

C26H42O6Sn — CID 10745580

About (2R,4aR,6S,7S,8R,8aS)-6-pent-4-enoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol;dibutyltin

(2R,4aR,6S,7S,8R,8aS)-6-pent-4-enoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol;dibutyltin (PubChem CID 10745580) has the molecular formula C26H42O6Sn and a molecular weight of 569.33 g/mol. Its IUPAC name is (2R,4aR,6S,7S,8R,8aS)-6-pent-4-enoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol;dibutyltin.

Molecular Properties

• Compound Name: (2R,4aR,6S,7S,8R,8aS)-6-pent-4-enoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol;dibutyltin
• PubChem CID: 10745580
• Molecular Formula: C26H42O6Sn
• Molecular Weight: 569.33 g/mol
• Exact Mass: 570.20
• IUPAC Name: (2R,4aR,6S,7S,8R,8aS)-6-pent-4-enoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol;dibutyltin
• SMILES: C=CCCCO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](O)[C@@H]1O.CCCC[Sn]CCCC
• InChI: InChI=1S/C18H24O6.2C4H9.Sn/c1-2-3-7-10-21-18-15(20)14(19)16-13(23-18)11-22-17(24-16)12-8-5-4-6-9-12;2*1-3-4-2;/h2,4-6,8-9,13-20H,1,3,7,10-11H2;2*1,3-4H2,2H3;/t13-,14-,15+,16-,17-,18+;;;/m1.../s1
• InChIKey: YTPNIEXTTNTNEF-YGYMIYEJSA-N
• XLogP: 4.66
• TPSA: 77.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.33
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,4aR,6S,7S,8R,8aS)-6-pent-4-enoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol;dibutyltin?

The IUPAC name of (2R,4aR,6S,7S,8R,8aS)-6-pent-4-enoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol;dibutyltin (CID 10745580) is (2R,4aR,6S,7S,8R,8aS)-6-pent-4-enoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol;dibutyltin.

What is the SMILES notation for (2R,4aR,6S,7S,8R,8aS)-6-pent-4-enoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol;dibutyltin?

The canonical SMILES for (2R,4aR,6S,7S,8R,8aS)-6-pent-4-enoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol;dibutyltin is C=CCCCO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](O)[C@@H]1O.CCCC[Sn]CCCC.

What is the InChIKey of (2R,4aR,6S,7S,8R,8aS)-6-pent-4-enoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol;dibutyltin?

The InChIKey is YTPNIEXTTNTNEF-YGYMIYEJSA-N. The full InChI is InChI=1S/C18H24O6.2C4H9.Sn/c1-2-3-7-10-21-18-15(20)14(19)16-13(23-18)11-22-17(24-16)12-8-5-4-6-9-12;2*1-3-4-2;/h2,4-6,8-9,13-20H,1,3,7,10-11H2;2*1,3-4H2,2H3;/t13-,14-,15+,16-,17-,18+;;;/m1.../s1.

What are the key properties of (2R,4aR,6S,7S,8R,8aS)-6-pent-4-enoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol;dibutyltin?

(2R,4aR,6S,7S,8R,8aS)-6-pent-4-enoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol;dibutyltin has a molecular weight of 569.33 g/mol, XLogP of 4.66, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4aR,6S,7S,8R,8aS)-6-pent-4-enoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol;dibutyltin is sourced from PubChem (CID 10745580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).