(3aS,6R,6aS)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-[1-(2-methoxyethoxy)ethoxy]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole

C17H30O8 — CID 58860214

About (3aS,6R,6aS)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-[1-(2-methoxyethoxy)ethoxy]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole

(3aS,6R,6aS)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-[1-(2-methoxyethoxy)ethoxy]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole (PubChem CID 58860214) has the molecular formula C17H30O8 and a molecular weight of 362.42 g/mol. Its IUPAC name is (3aS,6R,6aS)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-[1-(2-methoxyethoxy)ethoxy]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole.

Molecular Properties

• Compound Name: (3aS,6R,6aS)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-[1-(2-methoxyethoxy)ethoxy]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
• PubChem CID: 58860214
• Molecular Formula: C17H30O8
• Molecular Weight: 362.42 g/mol
• Exact Mass: 362.19
• IUPAC Name: (3aS,6R,6aS)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-[1-(2-methoxyethoxy)ethoxy]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
• SMILES: COCCOC(C)OC1O[C@H](C2COC(C)(C)O2)[C@@H]2OC(C)(C)O[C@H]12
• InChI: InChI=1S/C17H30O8/c1-10(19-8-7-18-6)21-15-14-13(24-17(4,5)25-14)12(22-15)11-9-20-16(2,3)23-11/h10-15H,7-9H2,1-6H3/t10?,11?,12-,13+,14+,15?/m1/s1
• InChIKey: TYQORCFFKBTDLK-YOQBRKFASA-N
• XLogP: 1.41
• TPSA: 73.84 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.42
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3aS,6R,6aS)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-[1-(2-methoxyethoxy)ethoxy]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?

The IUPAC name of (3aS,6R,6aS)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-[1-(2-methoxyethoxy)ethoxy]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole (CID 58860214) is (3aS,6R,6aS)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-[1-(2-methoxyethoxy)ethoxy]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole.

What is the SMILES notation for (3aS,6R,6aS)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-[1-(2-methoxyethoxy)ethoxy]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?

The canonical SMILES for (3aS,6R,6aS)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-[1-(2-methoxyethoxy)ethoxy]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole is COCCOC(C)OC1O[C@H](C2COC(C)(C)O2)[C@@H]2OC(C)(C)O[C@H]12.

What is the InChIKey of (3aS,6R,6aS)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-[1-(2-methoxyethoxy)ethoxy]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?

The InChIKey is TYQORCFFKBTDLK-YOQBRKFASA-N. The full InChI is InChI=1S/C17H30O8/c1-10(19-8-7-18-6)21-15-14-13(24-17(4,5)25-14)12(22-15)11-9-20-16(2,3)23-11/h10-15H,7-9H2,1-6H3/t10?,11?,12-,13+,14+,15?/m1/s1.

What are the key properties of (3aS,6R,6aS)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-[1-(2-methoxyethoxy)ethoxy]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?

(3aS,6R,6aS)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-[1-(2-methoxyethoxy)ethoxy]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole has a molecular weight of 362.42 g/mol, XLogP of 1.41, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3aS,6R,6aS)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-[1-(2-methoxyethoxy)ethoxy]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole is sourced from PubChem (CID 58860214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).