(3aR,5R,6S,6aR)-2,2-dimethyl-6-(naphthalen-2-ylmethoxy)-5-(naphthalen-2-ylmethoxymethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde

C31H30O6 — CID 169212992

About (3aR,5R,6S,6aR)-2,2-dimethyl-6-(naphthalen-2-ylmethoxy)-5-(naphthalen-2-ylmethoxymethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde

(3aR,5R,6S,6aR)-2,2-dimethyl-6-(naphthalen-2-ylmethoxy)-5-(naphthalen-2-ylmethoxymethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde (PubChem CID 169212992) has the molecular formula C31H30O6 and a molecular weight of 498.58 g/mol. Its IUPAC name is (3aR,5R,6S,6aR)-2,2-dimethyl-6-(naphthalen-2-ylmethoxy)-5-(naphthalen-2-ylmethoxymethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde.

Molecular Properties

• Compound Name: (3aR,5R,6S,6aR)-2,2-dimethyl-6-(naphthalen-2-ylmethoxy)-5-(naphthalen-2-ylmethoxymethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde
• PubChem CID: 169212992
• Molecular Formula: C31H30O6
• Molecular Weight: 498.58 g/mol
• Exact Mass: 498.20
• IUPAC Name: (3aR,5R,6S,6aR)-2,2-dimethyl-6-(naphthalen-2-ylmethoxy)-5-(naphthalen-2-ylmethoxymethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde
• SMILES: CC1(C)O[C@H]2O[C@](C=O)(COCc3ccc4ccccc4c3)[C@@H](OCc3ccc4ccccc4c3)[C@H]2O1
• InChI: InChI=1S/C31H30O6/c1-30(2)35-27-28(34-18-22-12-14-24-8-4-6-10-26(24)16-22)31(19-32,37-29(27)36-30)20-33-17-21-11-13-23-7-3-5-9-25(23)15-21/h3-16,19,27-29H,17-18,20H2,1-2H3/t27-,28+,29+,31-/m1/s1
• InChIKey: YXWIDTIVHGXFPF-HCEBPPTQSA-N
• XLogP: 5.54
• TPSA: 63.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.58
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3aR,5R,6S,6aR)-2,2-dimethyl-6-(naphthalen-2-ylmethoxy)-5-(naphthalen-2-ylmethoxymethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde?

The IUPAC name of (3aR,5R,6S,6aR)-2,2-dimethyl-6-(naphthalen-2-ylmethoxy)-5-(naphthalen-2-ylmethoxymethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde (CID 169212992) is (3aR,5R,6S,6aR)-2,2-dimethyl-6-(naphthalen-2-ylmethoxy)-5-(naphthalen-2-ylmethoxymethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde.

What is the SMILES notation for (3aR,5R,6S,6aR)-2,2-dimethyl-6-(naphthalen-2-ylmethoxy)-5-(naphthalen-2-ylmethoxymethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde?

The canonical SMILES for (3aR,5R,6S,6aR)-2,2-dimethyl-6-(naphthalen-2-ylmethoxy)-5-(naphthalen-2-ylmethoxymethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde is CC1(C)O[C@H]2O[C@](C=O)(COCc3ccc4ccccc4c3)[C@@H](OCc3ccc4ccccc4c3)[C@H]2O1.

What is the InChIKey of (3aR,5R,6S,6aR)-2,2-dimethyl-6-(naphthalen-2-ylmethoxy)-5-(naphthalen-2-ylmethoxymethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde?

The InChIKey is YXWIDTIVHGXFPF-HCEBPPTQSA-N. The full InChI is InChI=1S/C31H30O6/c1-30(2)35-27-28(34-18-22-12-14-24-8-4-6-10-26(24)16-22)31(19-32,37-29(27)36-30)20-33-17-21-11-13-23-7-3-5-9-25(23)15-21/h3-16,19,27-29H,17-18,20H2,1-2H3/t27-,28+,29+,31-/m1/s1.

What are the key properties of (3aR,5R,6S,6aR)-2,2-dimethyl-6-(naphthalen-2-ylmethoxy)-5-(naphthalen-2-ylmethoxymethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde?

(3aR,5R,6S,6aR)-2,2-dimethyl-6-(naphthalen-2-ylmethoxy)-5-(naphthalen-2-ylmethoxymethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde has a molecular weight of 498.58 g/mol, XLogP of 5.54, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3aR,5R,6S,6aR)-2,2-dimethyl-6-(naphthalen-2-ylmethoxy)-5-(naphthalen-2-ylmethoxymethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde is sourced from PubChem (CID 169212992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).