6-fluorocyclohexane-1,2,3,4,5-pentol;2-(2-fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;2-(2-fluoropropyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;(2-fluoro-3,4,5,6-tetramethylcyclohexyl) acetate;methane;bis((2,3,4,5,6-pentahydroxycyclohexyl) 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate)

C76H124F4N8O29 — CID 160554834

About 6-fluorocyclohexane-1,2,3,4,5-pentol;2-(2-fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;2-(2-fluoropropyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;(2-fluoro-3,4,5,6-tetramethylcyclohexyl) acetate;methane;bis((2,3,4,5,6-pentahydroxycyclohexyl) 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate)

6-fluorocyclohexane-1,2,3,4,5-pentol;2-(2-fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;2-(2-fluoropropyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;(2-fluoro-3,4,5,6-tetramethylcyclohexyl) acetate;methane;bis((2,3,4,5,6-pentahydroxycyclohexyl) 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate) (PubChem CID 160554834) has the molecular formula C76H124F4N8O29 and a molecular weight of 1689.85 g/mol. Its IUPAC name is 6-fluorocyclohexane-1,2,3,4,5-pentol;2-(2-fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;2-(2-fluoropropyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;(2-fluoro-3,4,5,6-tetramethylcyclohexyl) acetate;methane;bis((2,3,4,5,6-pentahydroxycyclohexyl) 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate).

Molecular Properties

• Compound Name: 6-fluorocyclohexane-1,2,3,4,5-pentol;2-(2-fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;2-(2-fluoropropyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;(2-fluoro-3,4,5,6-tetramethylcyclohexyl) acetate;methane;bis((2,3,4,5,6-pentahydroxycyclohexyl) 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate)
• PubChem CID: 160554834
• Molecular Formula: C76H124F4N8O29
• Molecular Weight: 1689.85 g/mol
• Exact Mass: 1688.84
• IUPAC Name: 6-fluorocyclohexane-1,2,3,4,5-pentol;2-(2-fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;2-(2-fluoropropyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;(2-fluoro-3,4,5,6-tetramethylcyclohexyl) acetate;methane;bis((2,3,4,5,6-pentahydroxycyclohexyl) 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate)
• SMILES: C.CC(=O)OC1C(C)C(C)C(C)C(C)C1F.CC(F)CN1C(=O)CC2(CCN(C)CC2)C1=O.CCN1C(=O)CC2(CCN(C(=O)OC3C(O)C(O)C(O)C(O)C3O)CC2)C1=O.CCN1C(=O)CC2(CCN(C(=O)OC3C(O)C(O)C(O)C(O)C3O)CC2)C1=O.CN1CCC2(CC1)CC(=O)N(CCF)C2=O.OC1C(O)C(O)C(F)C(O)C1O
• InChI: InChI=1S/2C17H26N2O9.C12H19FN2O2.C12H21FO2.C11H17FN2O2.C6H11FO5.CH4/c2*1-2-19-8(20)7-17(15(19)26)3-5-18(6-4-17)16(27)28-14-12(24)10(22)9(21)11(23)13(14)25;1-9(13)8-15-10(16)7-12(11(15)17)3-5-14(2)6-4-12;1-6-7(2)9(4)12(15-10(5)14)11(13)8(6)3;1-13-5-2-11(3-6-13)8-9(15)14(7-4-12)10(11)16;7-1-2(8)4(10)6(12)5(11)3(1)9;/h2*9-14,21-25H,2-7H2,1H3;9H,3-8H2,1-2H3;6-9,11-12H,1-5H3;2-8H2,1H3;1-6,8-12H;1H4
• InChIKey: QYNSWXOJDVYSJT-UHFFFAOYSA-N
• XLogP: -3.82
• TPSA: 544.83 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 31
• Rotatable Bonds: 9
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1689.85
LogP ≤ 5	-3.82
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-fluorocyclohexane-1,2,3,4,5-pentol;2-(2-fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;2-(2-fluoropropyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;(2-fluoro-3,4,5,6-tetramethylcyclohexyl) acetate;methane;bis((2,3,4,5,6-pentahydroxycyclohexyl) 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate)?

The IUPAC name of 6-fluorocyclohexane-1,2,3,4,5-pentol;2-(2-fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;2-(2-fluoropropyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;(2-fluoro-3,4,5,6-tetramethylcyclohexyl) acetate;methane;bis((2,3,4,5,6-pentahydroxycyclohexyl) 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate) (CID 160554834) is 6-fluorocyclohexane-1,2,3,4,5-pentol;2-(2-fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;2-(2-fluoropropyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;(2-fluoro-3,4,5,6-tetramethylcyclohexyl) acetate;methane;bis((2,3,4,5,6-pentahydroxycyclohexyl) 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate).

What is the SMILES notation for 6-fluorocyclohexane-1,2,3,4,5-pentol;2-(2-fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;2-(2-fluoropropyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;(2-fluoro-3,4,5,6-tetramethylcyclohexyl) acetate;methane;bis((2,3,4,5,6-pentahydroxycyclohexyl) 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate)?

The canonical SMILES for 6-fluorocyclohexane-1,2,3,4,5-pentol;2-(2-fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;2-(2-fluoropropyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;(2-fluoro-3,4,5,6-tetramethylcyclohexyl) acetate;methane;bis((2,3,4,5,6-pentahydroxycyclohexyl) 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate) is C.CC(=O)OC1C(C)C(C)C(C)C(C)C1F.CC(F)CN1C(=O)CC2(CCN(C)CC2)C1=O.CCN1C(=O)CC2(CCN(C(=O)OC3C(O)C(O)C(O)C(O)C3O)CC2)C1=O.CCN1C(=O)CC2(CCN(C(=O)OC3C(O)C(O)C(O)C(O)C3O)CC2)C1=O.CN1CCC2(CC1)CC(=O)N(CCF)C2=O.OC1C(O)C(O)C(F)C(O)C1O.

What is the InChIKey of 6-fluorocyclohexane-1,2,3,4,5-pentol;2-(2-fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;2-(2-fluoropropyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;(2-fluoro-3,4,5,6-tetramethylcyclohexyl) acetate;methane;bis((2,3,4,5,6-pentahydroxycyclohexyl) 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate)?

The InChIKey is QYNSWXOJDVYSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H26N2O9.C12H19FN2O2.C12H21FO2.C11H17FN2O2.C6H11FO5.CH4/c2*1-2-19-8(20)7-17(15(19)26)3-5-18(6-4-17)16(27)28-14-12(24)10(22)9(21)11(23)13(14)25;1-9(13)8-15-10(16)7-12(11(15)17)3-5-14(2)6-4-12;1-6-7(2)9(4)12(15-10(5)14)11(13)8(6)3;1-13-5-2-11(3-6-13)8-9(15)14(7-4-12)10(11)16;7-1-2(8)4(10)6(12)5(11)3(1)9;/h2*9-14,21-25H,2-7H2,1H3;9H,3-8H2,1-2H3;6-9,11-12H,1-5H3;2-8H2,1H3;1-6,8-12H;1H4.

What are the key properties of 6-fluorocyclohexane-1,2,3,4,5-pentol;2-(2-fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;2-(2-fluoropropyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;(2-fluoro-3,4,5,6-tetramethylcyclohexyl) acetate;methane;bis((2,3,4,5,6-pentahydroxycyclohexyl) 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate)?

6-fluorocyclohexane-1,2,3,4,5-pentol;2-(2-fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;2-(2-fluoropropyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;(2-fluoro-3,4,5,6-tetramethylcyclohexyl) acetate;methane;bis((2,3,4,5,6-pentahydroxycyclohexyl) 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate) has a molecular weight of 1689.85 g/mol, XLogP of -3.82, 9 rotatable bonds, 15 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluorocyclohexane-1,2,3,4,5-pentol;2-(2-fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;2-(2-fluoropropyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;(2-fluoro-3,4,5,6-tetramethylcyclohexyl) acetate;methane;bis((2,3,4,5,6-pentahydroxycyclohexyl) 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate) is sourced from PubChem (CID 160554834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).