[3,3-bis(hydroxymethyl)-1,5-dioxaspiro[5.5]undecan-11-yl] 2,2-difluoropropanoate;[5,5-bis(hydroxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-yl] 2,2-difluoropropanoate;[5,5-bis(hydroxymethyl)spiro[1,3-dioxane-2,3'-bicyclo[2.2.1]heptane]-2'-yl] 2,2-difluoropropanoate;[3-(hydroxymethyl)-1,4-dioxaspiro[4.5]decan-6-yl] 2,2-difluoropropanoate;[4-(hydroxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-yl] 2,2-difluoropropanoate;[4-(hydroxymethyl)spiro[1,3-dioxolane-2,3'-bicyclo[2.2.1]heptane]-2'-yl] 2,2-difluoropropanoate;hexakis(10-phenylphenoxathiin-10-ium)

C196H206F12O39S6+6 — CID 159968584

About [3,3-bis(hydroxymethyl)-1,5-dioxaspiro[5.5]undecan-11-yl] 2,2-difluoropropanoate;[5,5-bis(hydroxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-yl] 2,2-difluoropropanoate;[5,5-bis(hydroxymethyl)spiro[1,3-dioxane-2,3'-bicyclo[2.2.1]heptane]-2'-yl] 2,2-difluoropropanoate;[3-(hydroxymethyl)-1,4-dioxaspiro[4.5]decan-6-yl] 2,2-difluoropropanoate;[4-(hydroxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-yl] 2,2-difluoropropanoate;[4-(hydroxymethyl)spiro[1,3-dioxolane-2,3'-bicyclo[2.2.1]heptane]-2'-yl] 2,2-difluoropropanoate;hexakis(10-phenylphenoxathiin-10-ium)

[3,3-bis(hydroxymethyl)-1,5-dioxaspiro[5.5]undecan-11-yl] 2,2-difluoropropanoate;[5,5-bis(hydroxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-yl] 2,2-difluoropropanoate;[5,5-bis(hydroxymethyl)spiro[1,3-dioxane-2,3'-bicyclo[2.2.1]heptane]-2'-yl] 2,2-difluoropropanoate;[3-(hydroxymethyl)-1,4-dioxaspiro[4.5]decan-6-yl] 2,2-difluoropropanoate;[4-(hydroxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-yl] 2,2-difluoropropanoate;[4-(hydroxymethyl)spiro[1,3-dioxolane-2,3'-bicyclo[2.2.1]heptane]-2'-yl] 2,2-difluoropropanoate;hexakis(10-phenylphenoxathiin-10-ium) (PubChem CID 159968584) has the molecular formula C196H206F12O39S6+6 and a molecular weight of 3606.14 g/mol. Its IUPAC name is [3,3-bis(hydroxymethyl)-1,5-dioxaspiro[5.5]undecan-11-yl] 2,2-difluoropropanoate;[5,5-bis(hydroxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-yl] 2,2-difluoropropanoate;[5,5-bis(hydroxymethyl)spiro[1,3-dioxane-2,3'-bicyclo[2.2.1]heptane]-2'-yl] 2,2-difluoropropanoate;[3-(hydroxymethyl)-1,4-dioxaspiro[4.5]decan-6-yl] 2,2-difluoropropanoate;[4-(hydroxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-yl] 2,2-difluoropropanoate;[4-(hydroxymethyl)spiro[1,3-dioxolane-2,3'-bicyclo[2.2.1]heptane]-2'-yl] 2,2-difluoropropanoate;hexakis(10-phenylphenoxathiin-10-ium).

Molecular Properties

• Compound Name: [3,3-bis(hydroxymethyl)-1,5-dioxaspiro[5.5]undecan-11-yl] 2,2-difluoropropanoate;[5,5-bis(hydroxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-yl] 2,2-difluoropropanoate;[5,5-bis(hydroxymethyl)spiro[1,3-dioxane-2,3'-bicyclo[2.2.1]heptane]-2'-yl] 2,2-difluoropropanoate;[3-(hydroxymethyl)-1,4-dioxaspiro[4.5]decan-6-yl] 2,2-difluoropropanoate;[4-(hydroxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-yl] 2,2-difluoropropanoate;[4-(hydroxymethyl)spiro[1,3-dioxolane-2,3'-bicyclo[2.2.1]heptane]-2'-yl] 2,2-difluoropropanoate;hexakis(10-phenylphenoxathiin-10-ium)
• PubChem CID: 159968584
• Molecular Formula: C196H206F12O39S6+6
• Molecular Weight: 3606.14 g/mol
• Exact Mass: 3603.22
• IUPAC Name: [3,3-bis(hydroxymethyl)-1,5-dioxaspiro[5.5]undecan-11-yl] 2,2-difluoropropanoate;[5,5-bis(hydroxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-yl] 2,2-difluoropropanoate;[5,5-bis(hydroxymethyl)spiro[1,3-dioxane-2,3'-bicyclo[2.2.1]heptane]-2'-yl] 2,2-difluoropropanoate;[3-(hydroxymethyl)-1,4-dioxaspiro[4.5]decan-6-yl] 2,2-difluoropropanoate;[4-(hydroxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-yl] 2,2-difluoropropanoate;[4-(hydroxymethyl)spiro[1,3-dioxolane-2,3'-bicyclo[2.2.1]heptane]-2'-yl] 2,2-difluoropropanoate;hexakis(10-phenylphenoxathiin-10-ium)
• SMILES: CC(F)(F)C(=O)OC12CC3CC(C1)C1(OCC(CO)(CO)CO1)C(C3)C2.CC(F)(F)C(=O)OC12CC3CC(C1)C1(OCC(CO)O1)C(C3)C2.CC(F)(F)C(=O)OC1C2CCC(C2)C12OCC(CO)(CO)CO2.CC(F)(F)C(=O)OC1C2CCC(C2)C12OCC(CO)O2.CC(F)(F)C(=O)OC1CCCCC12OCC(CO)(CO)CO2.CC(F)(F)C(=O)OC1CCCCC12OCC(CO)O2.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1
• InChI: InChI=1S/C18H26F2O6.6C18H13OS.C16H22F2O5.C15H22F2O6.C14H22F2O6.C13H18F2O5.C12H18F2O5/c1-15(19,20)14(23)26-17-4-11-2-12(5-17)18(13(3-11)6-17)24-9-16(7-21,8-22)10-25-18;6*1-2-8-14(9-3-1)20-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)20;1-14(17,18)13(20)23-15-4-9-2-10(5-15)16(11(3-9)6-15)21-8-12(7-19)22-16;1-13(16,17)12(20)23-11-9-2-3-10(4-9)15(11)21-7-14(5-18,6-19)8-22-15;1-12(15,16)11(19)22-10-4-2-3-5-14(10)20-8-13(6-17,7-18)9-21-14;1-12(14,15)11(17)19-10-7-2-3-8(4-7)13(10)18-6-9(5-16)20-13;1-11(13,14)10(16)18-9-4-2-3-5-12(9)17-7-8(6-15)19-12/h11-13,21-22H,2-10H2,1H3;6*1-13H;9-12,19H,2-8H2,1H3;9-11,18-19H,2-8H2,1H3;10,17-18H,2-9H2,1H3;7-10,16H,2-6H2,1H3;8-9,15H,2-7H2,1H3/q;6*+1
• InChIKey: OEGDIPBSQHQYGT-UHFFFAOYSA-N
• XLogP: 36.53
• TPSA: 506.01 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 39
• Rotatable Bonds: 27
• Heavy Atoms: 253
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3606.14
LogP ≤ 5	36.53
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3,3-bis(hydroxymethyl)-1,5-dioxaspiro[5.5]undecan-11-yl] 2,2-difluoropropanoate;[5,5-bis(hydroxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-yl] 2,2-difluoropropanoate;[5,5-bis(hydroxymethyl)spiro[1,3-dioxane-2,3'-bicyclo[2.2.1]heptane]-2'-yl] 2,2-difluoropropanoate;[3-(hydroxymethyl)-1,4-dioxaspiro[4.5]decan-6-yl] 2,2-difluoropropanoate;[4-(hydroxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-yl] 2,2-difluoropropanoate;[4-(hydroxymethyl)spiro[1,3-dioxolane-2,3'-bicyclo[2.2.1]heptane]-2'-yl] 2,2-difluoropropanoate;hexakis(10-phenylphenoxathiin-10-ium)?

The IUPAC name of [3,3-bis(hydroxymethyl)-1,5-dioxaspiro[5.5]undecan-11-yl] 2,2-difluoropropanoate;[5,5-bis(hydroxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-yl] 2,2-difluoropropanoate;[5,5-bis(hydroxymethyl)spiro[1,3-dioxane-2,3'-bicyclo[2.2.1]heptane]-2'-yl] 2,2-difluoropropanoate;[3-(hydroxymethyl)-1,4-dioxaspiro[4.5]decan-6-yl] 2,2-difluoropropanoate;[4-(hydroxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-yl] 2,2-difluoropropanoate;[4-(hydroxymethyl)spiro[1,3-dioxolane-2,3'-bicyclo[2.2.1]heptane]-2'-yl] 2,2-difluoropropanoate;hexakis(10-phenylphenoxathiin-10-ium) (CID 159968584) is [3,3-bis(hydroxymethyl)-1,5-dioxaspiro[5.5]undecan-11-yl] 2,2-difluoropropanoate;[5,5-bis(hydroxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-yl] 2,2-difluoropropanoate;[5,5-bis(hydroxymethyl)spiro[1,3-dioxane-2,3'-bicyclo[2.2.1]heptane]-2'-yl] 2,2-difluoropropanoate;[3-(hydroxymethyl)-1,4-dioxaspiro[4.5]decan-6-yl] 2,2-difluoropropanoate;[4-(hydroxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-yl] 2,2-difluoropropanoate;[4-(hydroxymethyl)spiro[1,3-dioxolane-2,3'-bicyclo[2.2.1]heptane]-2'-yl] 2,2-difluoropropanoate;hexakis(10-phenylphenoxathiin-10-ium).

What is the SMILES notation for [3,3-bis(hydroxymethyl)-1,5-dioxaspiro[5.5]undecan-11-yl] 2,2-difluoropropanoate;[5,5-bis(hydroxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-yl] 2,2-difluoropropanoate;[5,5-bis(hydroxymethyl)spiro[1,3-dioxane-2,3'-bicyclo[2.2.1]heptane]-2'-yl] 2,2-difluoropropanoate;[3-(hydroxymethyl)-1,4-dioxaspiro[4.5]decan-6-yl] 2,2-difluoropropanoate;[4-(hydroxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-yl] 2,2-difluoropropanoate;[4-(hydroxymethyl)spiro[1,3-dioxolane-2,3'-bicyclo[2.2.1]heptane]-2'-yl] 2,2-difluoropropanoate;hexakis(10-phenylphenoxathiin-10-ium)?

The canonical SMILES for [3,3-bis(hydroxymethyl)-1,5-dioxaspiro[5.5]undecan-11-yl] 2,2-difluoropropanoate;[5,5-bis(hydroxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-yl] 2,2-difluoropropanoate;[5,5-bis(hydroxymethyl)spiro[1,3-dioxane-2,3'-bicyclo[2.2.1]heptane]-2'-yl] 2,2-difluoropropanoate;[3-(hydroxymethyl)-1,4-dioxaspiro[4.5]decan-6-yl] 2,2-difluoropropanoate;[4-(hydroxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-yl] 2,2-difluoropropanoate;[4-(hydroxymethyl)spiro[1,3-dioxolane-2,3'-bicyclo[2.2.1]heptane]-2'-yl] 2,2-difluoropropanoate;hexakis(10-phenylphenoxathiin-10-ium) is CC(F)(F)C(=O)OC12CC3CC(C1)C1(OCC(CO)(CO)CO1)C(C3)C2.CC(F)(F)C(=O)OC12CC3CC(C1)C1(OCC(CO)O1)C(C3)C2.CC(F)(F)C(=O)OC1C2CCC(C2)C12OCC(CO)(CO)CO2.CC(F)(F)C(=O)OC1C2CCC(C2)C12OCC(CO)O2.CC(F)(F)C(=O)OC1CCCCC12OCC(CO)(CO)CO2.CC(F)(F)C(=O)OC1CCCCC12OCC(CO)O2.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.

What is the InChIKey of [3,3-bis(hydroxymethyl)-1,5-dioxaspiro[5.5]undecan-11-yl] 2,2-difluoropropanoate;[5,5-bis(hydroxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-yl] 2,2-difluoropropanoate;[5,5-bis(hydroxymethyl)spiro[1,3-dioxane-2,3'-bicyclo[2.2.1]heptane]-2'-yl] 2,2-difluoropropanoate;[3-(hydroxymethyl)-1,4-dioxaspiro[4.5]decan-6-yl] 2,2-difluoropropanoate;[4-(hydroxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-yl] 2,2-difluoropropanoate;[4-(hydroxymethyl)spiro[1,3-dioxolane-2,3'-bicyclo[2.2.1]heptane]-2'-yl] 2,2-difluoropropanoate;hexakis(10-phenylphenoxathiin-10-ium)?

The InChIKey is OEGDIPBSQHQYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2O6.6C18H13OS.C16H22F2O5.C15H22F2O6.C14H22F2O6.C13H18F2O5.C12H18F2O5/c1-15(19,20)14(23)26-17-4-11-2-12(5-17)18(13(3-11)6-17)24-9-16(7-21,8-22)10-25-18;6*1-2-8-14(9-3-1)20-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)20;1-14(17,18)13(20)23-15-4-9-2-10(5-15)16(11(3-9)6-15)21-8-12(7-19)22-16;1-13(16,17)12(20)23-11-9-2-3-10(4-9)15(11)21-7-14(5-18,6-19)8-22-15;1-12(15,16)11(19)22-10-4-2-3-5-14(10)20-8-13(6-17,7-18)9-21-14;1-12(14,15)11(17)19-10-7-2-3-8(4-7)13(10)18-6-9(5-16)20-13;1-11(13,14)10(16)18-9-4-2-3-5-12(9)17-7-8(6-15)19-12/h11-13,21-22H,2-10H2,1H3;6*1-13H;9-12,19H,2-8H2,1H3;9-11,18-19H,2-8H2,1H3;10,17-18H,2-9H2,1H3;7-10,16H,2-6H2,1H3;8-9,15H,2-7H2,1H3/q;6*+1;;;;;.

What are the key properties of [3,3-bis(hydroxymethyl)-1,5-dioxaspiro[5.5]undecan-11-yl] 2,2-difluoropropanoate;[5,5-bis(hydroxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-yl] 2,2-difluoropropanoate;[5,5-bis(hydroxymethyl)spiro[1,3-dioxane-2,3'-bicyclo[2.2.1]heptane]-2'-yl] 2,2-difluoropropanoate;[3-(hydroxymethyl)-1,4-dioxaspiro[4.5]decan-6-yl] 2,2-difluoropropanoate;[4-(hydroxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-yl] 2,2-difluoropropanoate;[4-(hydroxymethyl)spiro[1,3-dioxolane-2,3'-bicyclo[2.2.1]heptane]-2'-yl] 2,2-difluoropropanoate;hexakis(10-phenylphenoxathiin-10-ium)?

[3,3-bis(hydroxymethyl)-1,5-dioxaspiro[5.5]undecan-11-yl] 2,2-difluoropropanoate;[5,5-bis(hydroxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-yl] 2,2-difluoropropanoate;[5,5-bis(hydroxymethyl)spiro[1,3-dioxane-2,3'-bicyclo[2.2.1]heptane]-2'-yl] 2,2-difluoropropanoate;[3-(hydroxymethyl)-1,4-dioxaspiro[4.5]decan-6-yl] 2,2-difluoropropanoate;[4-(hydroxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-yl] 2,2-difluoropropanoate;[4-(hydroxymethyl)spiro[1,3-dioxolane-2,3'-bicyclo[2.2.1]heptane]-2'-yl] 2,2-difluoropropanoate;hexakis(10-phenylphenoxathiin-10-ium) has a molecular weight of 3606.14 g/mol, XLogP of 36.53, 27 rotatable bonds, 9 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for [3,3-bis(hydroxymethyl)-1,5-dioxaspiro[5.5]undecan-11-yl] 2,2-difluoropropanoate;[5,5-bis(hydroxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-yl] 2,2-difluoropropanoate;[5,5-bis(hydroxymethyl)spiro[1,3-dioxane-2,3'-bicyclo[2.2.1]heptane]-2'-yl] 2,2-difluoropropanoate;[3-(hydroxymethyl)-1,4-dioxaspiro[4.5]decan-6-yl] 2,2-difluoropropanoate;[4-(hydroxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-yl] 2,2-difluoropropanoate;[4-(hydroxymethyl)spiro[1,3-dioxolane-2,3'-bicyclo[2.2.1]heptane]-2'-yl] 2,2-difluoropropanoate;hexakis(10-phenylphenoxathiin-10-ium) is sourced from PubChem (CID 159968584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).