(4aR,6R,7R,8S,8aR)-2-naphthalen-2-yl-7,8-bis(phenylmethoxy)-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine

C34H34O6 — CID 101187094

About (4aR,6R,7R,8S,8aR)-2-naphthalen-2-yl-7,8-bis(phenylmethoxy)-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine

(4aR,6R,7R,8S,8aR)-2-naphthalen-2-yl-7,8-bis(phenylmethoxy)-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine (PubChem CID 101187094) has the molecular formula C34H34O6 and a molecular weight of 538.64 g/mol. Its IUPAC name is (4aR,6R,7R,8S,8aR)-2-naphthalen-2-yl-7,8-bis(phenylmethoxy)-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine.

Molecular Properties

• Compound Name: (4aR,6R,7R,8S,8aR)-2-naphthalen-2-yl-7,8-bis(phenylmethoxy)-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
• PubChem CID: 101187094
• Molecular Formula: C34H34O6
• Molecular Weight: 538.64 g/mol
• Exact Mass: 538.24
• IUPAC Name: (4aR,6R,7R,8S,8aR)-2-naphthalen-2-yl-7,8-bis(phenylmethoxy)-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
• SMILES: C=CCO[C@@H]1O[C@@H]2COC(c3ccc4ccccc4c3)O[C@H]2[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
• InChI: InChI=1S/C34H34O6/c1-2-19-35-34-32(37-22-25-13-7-4-8-14-25)31(36-21-24-11-5-3-6-12-24)30-29(39-34)23-38-33(40-30)28-18-17-26-15-9-10-16-27(26)20-28/h2-18,20,29-34H,1,19,21-23H2/t29-,30-,31+,32-,33?,34-/m1/s1
• InChIKey: OIQBYDILXPTZMW-IOUQCJCSSA-N
• XLogP: 6.35
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.64
LogP ≤ 5	6.35
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 (4aR,6R,7R,8S,8aR)-2-naphthalen-2-yl-7,8-bis(phenylmethoxy)-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?

The IUPAC name of (4aR,6R,7R,8S,8aR)-2-naphthalen-2-yl-7,8-bis(phenylmethoxy)-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine (CID 101187094) is (4aR,6R,7R,8S,8aR)-2-naphthalen-2-yl-7,8-bis(phenylmethoxy)-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine.

What is the SMILES notation for (4aR,6R,7R,8S,8aR)-2-naphthalen-2-yl-7,8-bis(phenylmethoxy)-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?

The canonical SMILES for (4aR,6R,7R,8S,8aR)-2-naphthalen-2-yl-7,8-bis(phenylmethoxy)-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine is C=CCO[C@@H]1O[C@@H]2COC(c3ccc4ccccc4c3)O[C@H]2[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.

What is the InChIKey of (4aR,6R,7R,8S,8aR)-2-naphthalen-2-yl-7,8-bis(phenylmethoxy)-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?

The InChIKey is OIQBYDILXPTZMW-IOUQCJCSSA-N. The full InChI is InChI=1S/C34H34O6/c1-2-19-35-34-32(37-22-25-13-7-4-8-14-25)31(36-21-24-11-5-3-6-12-24)30-29(39-34)23-38-33(40-30)28-18-17-26-15-9-10-16-27(26)20-28/h2-18,20,29-34H,1,19,21-23H2/t29-,30-,31+,32-,33?,34-/m1/s1.

What are the key properties of (4aR,6R,7R,8S,8aR)-2-naphthalen-2-yl-7,8-bis(phenylmethoxy)-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?

(4aR,6R,7R,8S,8aR)-2-naphthalen-2-yl-7,8-bis(phenylmethoxy)-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine has a molecular weight of 538.64 g/mol, XLogP of 6.35, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4aR,6R,7R,8S,8aR)-2-naphthalen-2-yl-7,8-bis(phenylmethoxy)-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine is sourced from PubChem (CID 101187094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).