2,2-difluoropropyl 4-(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;tetrakis(10-phenylphenoxathiin-10-ium)

C197H220F8O32S4+4 — CID 159845306

IUPAC2,2-difluoropropyl 4-(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;tetrakis(10-phenylphenoxathiin-10-ium)
SMILESCC(F)(F)COC(=O)C12CC3CC(C1)C1(OCC(COC(=O)C45CC6CC(C4)C(=O)C(C6)C5)O1)C(C3)C2.CC(F)(F)COC(=O)C12CC3CC(C1)C1(OCC(COC(=O)C45CC6CC(CC(C6)C4)C5)(COC(=O)C45CC6CC(CC(C6)C4)C5)CO1)C(C3)C2.CC(F)(F)COC(=O)C12CC3CC(C1)C1(OCC(COC(=O)C45CC6CC(CC(C6)C4)C5)O1)C(C3)C2.CC(F)(F)COC(=O)C12CC3CC(C1)C1(OCC(COC(=O)C45CC6CC(CC(O)(C6)C4)C5)O1)C(C3)C2.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C41H56F2O8.C28H38F2O7.C28H36F2O7.C28H38F2O6.4C18H13OS/c1-36(42,43)19-47-35(46)40-16-30-8-31(17-40)41(32(9-30)18-40)50-22-37(23-51-41,20-48-33(44)38-10-24-2-25(11-38)4-26(3-24)12-38)21-49-34(45)39-13-27-5-28(14-39)7-29(6-27)15-39;1-24(29,30)15-35-22(31)25-5-16-3-19(10-25)28(20(4-16)11-25)36-13-21(37-28)12-34-23(32)26-6-17-2-18(7-26)9-27(33,8-17)14-26;1-25(29,30)14-35-24(33)27-7-16-4-19(10-27)28(20(5-16)11-27)36-13-21(37-28)12-34-23(32)26-6-15-2-17(8-26)22(31)18(3-15)9-26;1-25(29,30)15-34-24(32)27-10-19-5-20(11-27)28(21(6-19)12-27)35-14-22(36-28)13-33-23(31)26-7-16-2-17(8-26)4-18(3-16)9-26;4*1-2-8-14(9-3-1)20-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)20/h24-32H,2-23H2,1H3;16-21,33H,2-15H2,1H3;15-21H,2-14H2,1H3;16-22H,2-15H2,1H3;4*1-13H/q;;;;4*+1
InChIKeyNPFJOQQNEAKYDA-UHFFFAOYSA-N
MW3380.15 g/mol
LogP39.75
Rot. Bonds31

About 2,2-difluoropropyl 4-(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;tetrakis(10-phenylphenoxathiin-10-ium)

2,2-difluoropropyl 4-(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;tetrakis(10-phenylphenoxathiin-10-ium) (PubChem CID 159845306) has the molecular formula C197H220F8O32S4+4 and a molecular weight of 3380.15 g/mol. Its IUPAC name is 2,2-difluoropropyl 4-(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;tetrakis(10-phenylphenoxathiin-10-ium).

Molecular Properties

Compound Name2,2-difluoropropyl 4-(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;tetrakis(10-phenylphenoxathiin-10-ium)
PubChem CID159845306
Molecular FormulaC197H220F8O32S4+4
Molecular Weight3380.15 g/mol
Exact Mass3377.43
IUPAC Name2,2-difluoropropyl 4-(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;tetrakis(10-phenylphenoxathiin-10-ium)
SMILESCC(F)(F)COC(=O)C12CC3CC(C1)C1(OCC(COC(=O)C45CC6CC(C4)C(=O)C(C6)C5)O1)C(C3)C2.CC(F)(F)COC(=O)C12CC3CC(C1)C1(OCC(COC(=O)C45CC6CC(CC(C6)C4)C5)(COC(=O)C45CC6CC(CC(C6)C4)C5)CO1)C(C3)C2.CC(F)(F)COC(=O)C12CC3CC(C1)C1(OCC(COC(=O)C45CC6CC(CC(C6)C4)C5)O1)C(C3)C2.CC(F)(F)COC(=O)C12CC3CC(C1)C1(OCC(COC(=O)C45CC6CC(CC(O)(C6)C4)C5)O1)C(C3)C2.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C41H56F2O8.C28H38F2O7.C28H36F2O7.C28H38F2O6.4C18H13OS/c1-36(42,43)19-47-35(46)40-16-30-8-31(17-40)41(32(9-30)18-40)50-22-37(23-51-41,20-48-33(44)38-10-24-2-25(11-38)4-26(3-24)12-38)21-49-34(45)39-13-27-5-28(14-39)7-29(6-27)15-39;1-24(29,30)15-35-22(31)25-5-16-3-19(10-25)28(20(4-16)11-25)36-13-21(37-28)12-34-23(32)26-6-17-2-18(7-26)9-27(33,8-17)14-26;1-25(29,30)14-35-24(33)27-7-16-4-19(10-27)28(20(5-16)11-27)36-13-21(37-28)12-34-23(32)26-6-15-2-17(8-26)22(31)18(3-15)9-26;1-25(29,30)15-34-24(32)27-10-19-5-20(11-27)28(21(6-19)12-27)35-14-22(36-28)13-33-23(31)26-7-16-2-17(8-26)4-18(3-16)9-26;4*1-2-8-14(9-3-1)20-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)20/h24-32H,2-23H2,1H3;16-21,33H,2-15H2,1H3;15-21H,2-14H2,1H3;16-22H,2-15H2,1H3;4*1-13H/q;;;;4*+1
InChIKeyNPFJOQQNEAKYDA-UHFFFAOYSA-N
XLogP39.75
TPSA384.76 Ų
H-Bond Donors1
H-Bond Acceptors32
Rotatable Bonds31
Heavy Atoms241
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003380.15
LogP ≤ 539.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze 2,2-difluoropropyl 4-(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;tetrakis(10-phenylphenoxathiin-10-ium) with MolForge

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Related Compounds

1-Adamantylmethyl 2,2-difluoropropanoate;bis((3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate);methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;(5-oxooxolan-3-yl) 2,2-difluoropropanoate;10-phenylphenoxathiin-10-ium;1-phenylthian-1-ium;bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);bis(triphenylsulfanium)
CID 157312308
1-Adamantylmethyl 2,2-difluoropropanoate;(3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl)methyl 2,2-difluoropropanoate;(5-oxooxolan-3-yl) 2,2-difluoropropanoate;10-phenylphenoxathiin-10-ium;bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);bis(triphenylsulfanium)
CID 157894008
[3-(2,2-Difluoropropanoyloxy)-2-hydroxypropyl] 3-hydroxyadamantane-1-carboxylate;[3-(2,2-difluoropropanoyloxy)-2-hydroxypropyl] 4-oxoadamantane-1-carboxylate;[2-hydroxy-3-(3-hydroxyadamantane-1-carbonyl)oxypropyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;tris(10-phenylphenoxathiin-10-ium)
CID 157916322
2,2-Difluoropropyl 5,5-bis(adamantane-1-carbonyloxymethyl)spiro[1,3-dithiane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dithiane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dithiane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dithiolane-2,4'-adamantane]-1'-carboxylate;tetrakis(10-phenylphenoxathiin-10-ium)
CID 158335642
(2-Ethyl-2-adamantyl) 2-(2,2-difluoropropanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;tris((3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate);methoxymethyl 2-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;methyl 2,2-difluoropropanoate;4-phenyl-1,4-oxathian-4-ium;10-phenylphenoxathiin-10-ium;1-phenylthian-1-ium;tris(triphenylsulfanium)
CID 158421977
2-(2,2-Difluoropropanoyloxy)ethyl adamantane-1-carboxylate;2-(2,2-difluoropropanoyloxy)ethyl 3-hydroxyadamantane-1-carboxylate;2-(2,2-difluoropropanoyloxy)ethyl 4-oxoadamantane-1-carboxylate;2-(2,2-difluoropropanoyloxy)ethyl 5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-carboxylate;bis(4-[4-(2-ethoxyethoxy)phenyl]-1,4-oxathian-4-ium);bis(4-(4-methoxyphenyl)-1,4-oxathian-4-ium)
CID 158464313
1-Adamantylmethyl 2,2-difluoropropanoate;bis((3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate);methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl)methyl 2,2-difluoropropanoate;(5-oxooxolan-3-yl) 2,2-difluoropropanoate;10-phenylphenoxathiin-10-ium;1-phenylthian-1-ium;bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);bis(triphenylsulfanium)
CID 159179783
2,2-Difluoropropyl 3-[2-(1-ethylcyclohexyl)oxy-2-oxoethoxy]adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 3-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;tris(10-phenylphenoxathiin-10-ium)
CID 159195574
2,2-Difluoropropyl 3-[2-[(3,5-dihydroxy-1-adamantyl)oxy]-2-oxoethoxy]adamantane-1-carboxylate;[2-[(3,5-dihydroxy-1-adamantyl)oxy]-2-oxoethyl] 4-[2-(2,2-difluoropropanoyloxy)acetyl]oxyadamantane-1-carboxylate;[2-[(3-hydroxy-1-adamantyl)oxy]-2-oxoethyl] 4-[2-(2,2-difluoropropanoyloxy)acetyl]oxyadamantane-1-carboxylate;[2-[(3-hydroxy-1-adamantyl)oxy]-2-oxoethyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;10-phenylphenoxathiin-10-ium;tris(triphenylsulfanium)
CID 159327930
1-Adamantylmethyl 2,2-difluoropropanoate;(3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;(5-oxooxolan-3-yl) 2,2-difluoropropanoate;10-phenylphenoxathiin-10-ium;bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);bis(triphenylsulfanium)
CID 159377856
2,2-Difluoropropyl 4-(adamantane-1-carbonyloxymethyl)spiro[1,3-dithiolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dithiolane-2,4'-adamantane]-1'-carboxylate;tetrakis(10-phenylphenoxathiin-10-ium)
CID 159577582
4-(4-Tert-butylphenyl)-1,4-oxathian-4-ium;2-(2,2-difluoropropanoyloxy)ethyl 4-oxoadamantane-1-carboxylate;tris(2-(2,2-difluoropropanoyloxy)ethyl spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate);2-(2,2-difluoropropanoyloxy)ethyl 5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-carboxylate;bis(4-[4-(2-ethoxyethoxy)phenyl]-1,4-oxathian-4-ium);4-(4-methoxyphenyl)-1,4-oxathian-4-ium;4-(4-methylphenyl)-1,4-oxathian-4-ium
CID 159643098

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoropropyl 4-(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;tetrakis(10-phenylphenoxathiin-10-ium)?
The IUPAC name of 2,2-difluoropropyl 4-(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;tetrakis(10-phenylphenoxathiin-10-ium) (CID 159845306) is 2,2-difluoropropyl 4-(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;tetrakis(10-phenylphenoxathiin-10-ium).
What is the SMILES notation for 2,2-difluoropropyl 4-(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;tetrakis(10-phenylphenoxathiin-10-ium)?
The canonical SMILES for 2,2-difluoropropyl 4-(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;tetrakis(10-phenylphenoxathiin-10-ium) is CC(F)(F)COC(=O)C12CC3CC(C1)C1(OCC(COC(=O)C45CC6CC(C4)C(=O)C(C6)C5)O1)C(C3)C2.CC(F)(F)COC(=O)C12CC3CC(C1)C1(OCC(COC(=O)C45CC6CC(CC(C6)C4)C5)(COC(=O)C45CC6CC(CC(C6)C4)C5)CO1)C(C3)C2.CC(F)(F)COC(=O)C12CC3CC(C1)C1(OCC(COC(=O)C45CC6CC(CC(C6)C4)C5)O1)C(C3)C2.CC(F)(F)COC(=O)C12CC3CC(C1)C1(OCC(COC(=O)C45CC6CC(CC(O)(C6)C4)C5)O1)C(C3)C2.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of 2,2-difluoropropyl 4-(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;tetrakis(10-phenylphenoxathiin-10-ium)?
The InChIKey is NPFJOQQNEAKYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H56F2O8.C28H38F2O7.C28H36F2O7.C28H38F2O6.4C18H13OS/c1-36(42,43)19-47-35(46)40-16-30-8-31(17-40)41(32(9-30)18-40)50-22-37(23-51-41,20-48-33(44)38-10-24-2-25(11-38)4-26(3-24)12-38)21-49-34(45)39-13-27-5-28(14-39)7-29(6-27)15-39;1-24(29,30)15-35-22(31)25-5-16-3-19(10-25)28(20(4-16)11-25)36-13-21(37-28)12-34-23(32)26-6-17-2-18(7-26)9-27(33,8-17)14-26;1-25(29,30)14-35-24(33)27-7-16-4-19(10-27)28(20(5-16)11-27)36-13-21(37-28)12-34-23(32)26-6-15-2-17(8-26)22(31)18(3-15)9-26;1-25(29,30)15-34-24(32)27-10-19-5-20(11-27)28(21(6-19)12-27)35-14-22(36-28)13-33-23(31)26-7-16-2-17(8-26)4-18(3-16)9-26;4*1-2-8-14(9-3-1)20-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)20/h24-32H,2-23H2,1H3;16-21,33H,2-15H2,1H3;15-21H,2-14H2,1H3;16-22H,2-15H2,1H3;4*1-13H/q;;;;4*+1.
What are the key properties of 2,2-difluoropropyl 4-(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;tetrakis(10-phenylphenoxathiin-10-ium)?
2,2-difluoropropyl 4-(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;tetrakis(10-phenylphenoxathiin-10-ium) has a molecular weight of 3380.15 g/mol, XLogP of 39.75, 31 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoropropyl 4-(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;tetrakis(10-phenylphenoxathiin-10-ium) is sourced from PubChem (CID 159845306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).