(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane];(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-[1-(2-methoxyethoxy)ethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane];(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-[1-(2-methylpropoxy)ethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane];(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-(1-propan-2-yloxyethoxy)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]

C95H158O31 — CID 158411988

About (3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane];(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-[1-(2-methoxyethoxy)ethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane];(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-[1-(2-methylpropoxy)ethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane];(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-(1-propan-2-yloxyethoxy)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]

(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane];(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-[1-(2-methoxyethoxy)ethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane];(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-[1-(2-methylpropoxy)ethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane];(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-(1-propan-2-yloxyethoxy)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane] (PubChem CID 158411988) has the molecular formula C95H158O31 and a molecular weight of 1796.28 g/mol. Its IUPAC name is (3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane];(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-[1-(2-methoxyethoxy)ethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane];(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-[1-(2-methylpropoxy)ethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane];(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-(1-propan-2-yloxyethoxy)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane].

Molecular Properties

• Compound Name: (3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane];(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-[1-(2-methoxyethoxy)ethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane];(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-[1-(2-methylpropoxy)ethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane];(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-(1-propan-2-yloxyethoxy)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]
• PubChem CID: 158411988
• Molecular Formula: C95H158O31
• Molecular Weight: 1796.28 g/mol
• Exact Mass: 1795.08
• IUPAC Name: (3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane];(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-[1-(2-methoxyethoxy)ethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane];(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-[1-(2-methylpropoxy)ethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane];(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-(1-propan-2-yloxyethoxy)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]
• SMILES: CC(C)COC(C)O[C@@H]1[C@H]2OC3(CCCCC3)O[C@H]2O[C@@H]1C1COC2(CCCCC2)O1.CC(C)OC(C)O[C@@H]1[C@H]2OC3(CCCCC3)O[C@H]2O[C@@H]1C1COC2(CCCCC2)O1.COCCOC(C)O[C@@H]1[C@H]2OC3(CCCCC3)O[C@H]2O[C@@H]1C1COC2(CCCCC2)O1.COCCOCCOC(C)O[C@@H]1[C@H]2OC3(CCCCC3)O[C@H]2O[C@@H]1C1COC2(CCCCC2)O1
• InChI: InChI=1S/C25H42O9.C24H40O7.C23H38O8.C23H38O7/c1-18(28-16-15-27-14-13-26-2)30-21-20(19-17-29-24(32-19)9-5-3-6-10-24)31-23-22(21)33-25(34-23)11-7-4-8-12-25;1-16(2)14-25-17(3)27-20-19(18-15-26-23(29-18)10-6-4-7-11-23)28-22-21(20)30-24(31-22)12-8-5-9-13-24;1-16(25-14-13-24-2)27-19-18(17-15-26-22(29-17)9-5-3-6-10-22)28-21-20(19)30-23(31-21)11-7-4-8-12-23;1-15(2)25-16(3)26-19-18(17-14-24-22(28-17)10-6-4-7-11-22)27-21-20(19)29-23(30-21)12-8-5-9-13-23/h18-23H,3-17H2,1-2H3;16-22H,4-15H2,1-3H3;16-21H,3-15H2,1-2H3;15-21H,4-14H2,1-3H3/t18?,19?,20-,21+,22-,23-;17?,18?,19-,20+,21-,22-;2*16?,17?,18-,19+,20-,21-/m1111/s1
• InChIKey: GZKQWJQKPZHKLQ-XYFHZBLLSA-N
• XLogP: 14.82
• TPSA: 286.13 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 28
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1796.28
LogP ≤ 5	14.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

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 (3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane];(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-[1-(2-methoxyethoxy)ethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane];(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-[1-(2-methylpropoxy)ethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane];(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-(1-propan-2-yloxyethoxy)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]?

The IUPAC name of (3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane];(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-[1-(2-methoxyethoxy)ethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane];(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-[1-(2-methylpropoxy)ethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane];(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-(1-propan-2-yloxyethoxy)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane] (CID 158411988) is (3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane];(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-[1-(2-methoxyethoxy)ethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane];(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-[1-(2-methylpropoxy)ethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane];(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-(1-propan-2-yloxyethoxy)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane].

What is the SMILES notation for (3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane];(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-[1-(2-methoxyethoxy)ethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane];(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-[1-(2-methylpropoxy)ethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane];(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-(1-propan-2-yloxyethoxy)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]?

The canonical SMILES for (3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane];(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-[1-(2-methoxyethoxy)ethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane];(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-[1-(2-methylpropoxy)ethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane];(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-(1-propan-2-yloxyethoxy)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane] is CC(C)COC(C)O[C@@H]1[C@H]2OC3(CCCCC3)O[C@H]2O[C@@H]1C1COC2(CCCCC2)O1.CC(C)OC(C)O[C@@H]1[C@H]2OC3(CCCCC3)O[C@H]2O[C@@H]1C1COC2(CCCCC2)O1.COCCOC(C)O[C@@H]1[C@H]2OC3(CCCCC3)O[C@H]2O[C@@H]1C1COC2(CCCCC2)O1.COCCOCCOC(C)O[C@@H]1[C@H]2OC3(CCCCC3)O[C@H]2O[C@@H]1C1COC2(CCCCC2)O1.

What is the InChIKey of (3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane];(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-[1-(2-methoxyethoxy)ethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane];(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-[1-(2-methylpropoxy)ethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane];(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-(1-propan-2-yloxyethoxy)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]?

The InChIKey is GZKQWJQKPZHKLQ-XYFHZBLLSA-N. The full InChI is InChI=1S/C25H42O9.C24H40O7.C23H38O8.C23H38O7/c1-18(28-16-15-27-14-13-26-2)30-21-20(19-17-29-24(32-19)9-5-3-6-10-24)31-23-22(21)33-25(34-23)11-7-4-8-12-25;1-16(2)14-25-17(3)27-20-19(18-15-26-23(29-18)10-6-4-7-11-23)28-22-21(20)30-24(31-22)12-8-5-9-13-24;1-16(25-14-13-24-2)27-19-18(17-15-26-22(29-17)9-5-3-6-10-22)28-21-20(19)30-23(31-21)11-7-4-8-12-23;1-15(2)25-16(3)26-19-18(17-14-24-22(28-17)10-6-4-7-11-22)27-21-20(19)29-23(30-21)12-8-5-9-13-23/h18-23H,3-17H2,1-2H3;16-22H,4-15H2,1-3H3;16-21H,3-15H2,1-2H3;15-21H,4-14H2,1-3H3/t18?,19?,20-,21+,22-,23-;17?,18?,19-,20+,21-,22-;2*16?,17?,18-,19+,20-,21-/m1111/s1.

What are the key properties of (3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane];(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-[1-(2-methoxyethoxy)ethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane];(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-[1-(2-methylpropoxy)ethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane];(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-(1-propan-2-yloxyethoxy)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]?

(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane];(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-[1-(2-methoxyethoxy)ethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane];(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-[1-(2-methylpropoxy)ethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane];(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-(1-propan-2-yloxyethoxy)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane] has a molecular weight of 1796.28 g/mol, XLogP of 14.82, 28 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane];(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-[1-(2-methoxyethoxy)ethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane];(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-[1-(2-methylpropoxy)ethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane];(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-(1-propan-2-yloxyethoxy)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane] is sourced from PubChem (CID 158411988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).