6-(5-aminopentoxy)-8-(naphthalen-2-ylmethoxy)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol

C29H35NO6 — CID 156559615

About 6-(5-aminopentoxy)-8-(naphthalen-2-ylmethoxy)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol

6-(5-aminopentoxy)-8-(naphthalen-2-ylmethoxy)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol (PubChem CID 156559615) has the molecular formula C29H35NO6 and a molecular weight of 493.60 g/mol. Its IUPAC name is 6-(5-aminopentoxy)-8-(naphthalen-2-ylmethoxy)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol.

Molecular Properties

• Compound Name: 6-(5-aminopentoxy)-8-(naphthalen-2-ylmethoxy)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
• PubChem CID: 156559615
• Molecular Formula: C29H35NO6
• Molecular Weight: 493.60 g/mol
• Exact Mass: 493.25
• IUPAC Name: 6-(5-aminopentoxy)-8-(naphthalen-2-ylmethoxy)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
• SMILES: NCCCCCOC1OC2COC(c3ccccc3)OC2C(OCc2ccc3ccccc3c2)C1O
• InChI: InChI=1S/C29H35NO6/c30-15-7-2-8-16-32-29-25(31)27(33-18-20-13-14-21-9-5-6-12-23(21)17-20)26-24(35-29)19-34-28(36-26)22-10-3-1-4-11-22/h1,3-6,9-14,17,24-29,31H,2,7-8,15-16,18-19,30H2
• InChIKey: AXTXDEPNRVPMDP-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 92.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.60
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(5-aminopentoxy)-8-(naphthalen-2-ylmethoxy)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol?

The IUPAC name of 6-(5-aminopentoxy)-8-(naphthalen-2-ylmethoxy)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol (CID 156559615) is 6-(5-aminopentoxy)-8-(naphthalen-2-ylmethoxy)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol.

What is the SMILES notation for 6-(5-aminopentoxy)-8-(naphthalen-2-ylmethoxy)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol?

The canonical SMILES for 6-(5-aminopentoxy)-8-(naphthalen-2-ylmethoxy)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol is NCCCCCOC1OC2COC(c3ccccc3)OC2C(OCc2ccc3ccccc3c2)C1O.

What is the InChIKey of 6-(5-aminopentoxy)-8-(naphthalen-2-ylmethoxy)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol?

The InChIKey is AXTXDEPNRVPMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO6/c30-15-7-2-8-16-32-29-25(31)27(33-18-20-13-14-21-9-5-6-12-23(21)17-20)26-24(35-29)19-34-28(36-26)22-10-3-1-4-11-22/h1,3-6,9-14,17,24-29,31H,2,7-8,15-16,18-19,30H2.

What are the key properties of 6-(5-aminopentoxy)-8-(naphthalen-2-ylmethoxy)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol?

6-(5-aminopentoxy)-8-(naphthalen-2-ylmethoxy)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol has a molecular weight of 493.60 g/mol, XLogP of 4.07, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-aminopentoxy)-8-(naphthalen-2-ylmethoxy)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol is sourced from PubChem (CID 156559615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).