3-benzoyloxy-4-methylpentanoate;bicyclo[2.2.1]hept-5-ene-2-carboxylate;cyclohex-3-ene-1-carboxylate;3,3-difluorobutanoate;3,3-difluoropentanoate;2,2-difluoro-1-(2,2,2-trifluoroethoxy)propane;2,3-dihydro-1H-indene-1-carboxylate;2,4-dimethylbenzoate;9H-fluorene-9-carboxylate;2-(9H-fluoren-9-yl)acetate;1H-indene-1-carboxylate;1H-indene-2-carboxylate;4-methylbenzoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;propanoate;3,3,5,5-tetrafluorohexanoate;1,1,1-trifluoro-2-methoxyethane;2,4,6-trimethylbenzoate;2,4,6-tri(propan-2-yl)benzoate;acetate;benzoate;dicarbonofluoridate

C189H184F18O48-22 — CID 159844347

IUPAC3-benzoyloxy-4-methylpentanoate;bicyclo[2.2.1]hept-5-ene-2-carboxylate;cyclohex-3-ene-1-carboxylate;3,3-difluorobutanoate;3,3-difluoropentanoate;2,2-difluoro-1-(2,2,2-trifluoroethoxy)propane;2,3-dihydro-1H-indene-1-carboxylate;2,4-dimethylbenzoate;9H-fluorene-9-carboxylate;2-(9H-fluoren-9-yl)acetate;1H-indene-1-carboxylate;1H-indene-2-carboxylate;4-methylbenzoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;propanoate;3,3,5,5-tetrafluorohexanoate;1,1,1-trifluoro-2-methoxyethane;2,4,6-trimethylbenzoate;2,4,6-tri(propan-2-yl)benzoate;acetate;benzoate;dicarbonofluoridate
SMILESCC(=O)[O-].CC(C)C(CC(=O)[O-])OC(=O)c1ccccc1.CC(C)c1cc(C(C)C)c(C(=O)[O-])c(C(C)C)c1.CC(F)(F)CC(=O)[O-].CC(F)(F)CC(F)(F)CC(=O)[O-].CC(F)(F)COCC(F)(F)F.CCC(=O)[O-].CCC(F)(F)CC(=O)[O-].COCC(F)(F)F.Cc1cc(C)c(C(=O)[O-])c(C)c1.Cc1ccc(C(=O)[O-])c(C)c1.Cc1ccc(C(=O)[O-])cc1.O=C([O-])C1=Cc2ccccc2C1.O=C([O-])C1C=Cc2ccccc21.O=C([O-])C1CC2C=CC1C2.O=C([O-])C1CC=CCC1.O=C([O-])C1CCc2ccccc21.O=C([O-])C1c2ccccc2-c2ccccc21.O=C([O-])CC1c2ccccc2-c2ccccc21.O=C([O-])F.O=C([O-])F.O=C([O-])c1ccc2ccccc2c1.O=C([O-])c1cccc2ccccc12.O=C([O-])c1ccccc1
InChIInChI=1S/C16H24O2.C15H12O2.C14H10O2.C13H16O4.2C11H8O2.C10H8O2.C10H10O2.C10H8O2.C10H12O2.C9H10O2.C8H10O2.C8H8O2.C7H10O2.C7H6O2.C6H8F4O2.C5H7F5O.C5H8F2O2.C4H6F2O2.C3H5F3O.C3H6O2.C2H4O2.2CHFO2/c1-9(2)12-7-13(10(3)4)15(16(17)18)14(8-12)11(5)6;16-15(17)9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14;15-14(16)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;1-9(2)11(8-12(14)15)17-13(16)10-6-4-3-5-7-10;12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;11-10(12)9-5-7-3-1-2-4-8(7)6-9;2*11-10(12)9-6-5-7-3-1-2-4-8(7)9;1-6-4-7(2)9(10(11)12)8(3)5-6;1-6-3-4-8(9(10)11)7(2)5-6;9-8(10)7-4-5-1-2-6(7)3-5;1-6-2-4-7(5-3-6)8(9)10;2*8-7(9)6-4-2-1-3-5-6;1-5(7,8)3-6(9,10)2-4(11)12;1-4(6,7)2-11-3-5(8,9)10;1-2-5(6,7)3-4(8)9;1-4(5,6)2-3(7)8;1-7-2-3(4,5)6;1-2-3(4)5;1-2(3)4;2*2-1(3)4/h7-11H,1-6H3,(H,17,18);1-8,14H,9H2,(H,16,17);1-8,13H,(H,15,16);3-7,9,11H,8H2,1-2H3,(H,14,15);2*1-7H,(H,12,13);1-5H,6H2,(H,11,12);1-4,9H,5-6H2,(H,11,12);1-6,9H,(H,11,12);4-5H,1-3H3,(H,11,12);3-5H,1-2H3,(H,10,11);1-2,5-7H,3-4H2,(H,9,10);2-5H,1H3,(H,9,10);1-2,6H,3-5H2,(H,8,9);1-5H,(H,8,9);2-3H2,1H3,(H,11,12);2-3H2,1H3;2-3H2,1H3,(H,8,9);2H2,1H3,(H,7,8);2H2,1H3;2H2,1H3,(H,4,5);1H3,(H,3,4);2*(H,3,4)/p-22
InChIKeyGVGKEHRHUYFIPQ-UHFFFAOYSA-A
MW3565.47 g/mol
LogP14.48
Rot. Bonds37

About 3-benzoyloxy-4-methylpentanoate;bicyclo[2.2.1]hept-5-ene-2-carboxylate;cyclohex-3-ene-1-carboxylate;3,3-difluorobutanoate;3,3-difluoropentanoate;2,2-difluoro-1-(2,2,2-trifluoroethoxy)propane;2,3-dihydro-1H-indene-1-carboxylate;2,4-dimethylbenzoate;9H-fluorene-9-carboxylate;2-(9H-fluoren-9-yl)acetate;1H-indene-1-carboxylate;1H-indene-2-carboxylate;4-methylbenzoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;propanoate;3,3,5,5-tetrafluorohexanoate;1,1,1-trifluoro-2-methoxyethane;2,4,6-trimethylbenzoate;2,4,6-tri(propan-2-yl)benzoate;acetate;benzoate;dicarbonofluoridate

3-benzoyloxy-4-methylpentanoate;bicyclo[2.2.1]hept-5-ene-2-carboxylate;cyclohex-3-ene-1-carboxylate;3,3-difluorobutanoate;3,3-difluoropentanoate;2,2-difluoro-1-(2,2,2-trifluoroethoxy)propane;2,3-dihydro-1H-indene-1-carboxylate;2,4-dimethylbenzoate;9H-fluorene-9-carboxylate;2-(9H-fluoren-9-yl)acetate;1H-indene-1-carboxylate;1H-indene-2-carboxylate;4-methylbenzoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;propanoate;3,3,5,5-tetrafluorohexanoate;1,1,1-trifluoro-2-methoxyethane;2,4,6-trimethylbenzoate;2,4,6-tri(propan-2-yl)benzoate;acetate;benzoate;dicarbonofluoridate (PubChem CID 159844347) has the molecular formula C189H184F18O48-22 and a molecular weight of 3565.47 g/mol. Its IUPAC name is 3-benzoyloxy-4-methylpentanoate;bicyclo[2.2.1]hept-5-ene-2-carboxylate;cyclohex-3-ene-1-carboxylate;3,3-difluorobutanoate;3,3-difluoropentanoate;2,2-difluoro-1-(2,2,2-trifluoroethoxy)propane;2,3-dihydro-1H-indene-1-carboxylate;2,4-dimethylbenzoate;9H-fluorene-9-carboxylate;2-(9H-fluoren-9-yl)acetate;1H-indene-1-carboxylate;1H-indene-2-carboxylate;4-methylbenzoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;propanoate;3,3,5,5-tetrafluorohexanoate;1,1,1-trifluoro-2-methoxyethane;2,4,6-trimethylbenzoate;2,4,6-tri(propan-2-yl)benzoate;acetate;benzoate;dicarbonofluoridate.

Molecular Properties

Compound Name3-benzoyloxy-4-methylpentanoate;bicyclo[2.2.1]hept-5-ene-2-carboxylate;cyclohex-3-ene-1-carboxylate;3,3-difluorobutanoate;3,3-difluoropentanoate;2,2-difluoro-1-(2,2,2-trifluoroethoxy)propane;2,3-dihydro-1H-indene-1-carboxylate;2,4-dimethylbenzoate;9H-fluorene-9-carboxylate;2-(9H-fluoren-9-yl)acetate;1H-indene-1-carboxylate;1H-indene-2-carboxylate;4-methylbenzoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;propanoate;3,3,5,5-tetrafluorohexanoate;1,1,1-trifluoro-2-methoxyethane;2,4,6-trimethylbenzoate;2,4,6-tri(propan-2-yl)benzoate;acetate;benzoate;dicarbonofluoridate
PubChem CID159844347
Molecular FormulaC189H184F18O48-22
Molecular Weight3565.47 g/mol
Exact Mass3563.18
IUPAC Name3-benzoyloxy-4-methylpentanoate;bicyclo[2.2.1]hept-5-ene-2-carboxylate;cyclohex-3-ene-1-carboxylate;3,3-difluorobutanoate;3,3-difluoropentanoate;2,2-difluoro-1-(2,2,2-trifluoroethoxy)propane;2,3-dihydro-1H-indene-1-carboxylate;2,4-dimethylbenzoate;9H-fluorene-9-carboxylate;2-(9H-fluoren-9-yl)acetate;1H-indene-1-carboxylate;1H-indene-2-carboxylate;4-methylbenzoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;propanoate;3,3,5,5-tetrafluorohexanoate;1,1,1-trifluoro-2-methoxyethane;2,4,6-trimethylbenzoate;2,4,6-tri(propan-2-yl)benzoate;acetate;benzoate;dicarbonofluoridate
SMILESCC(=O)[O-].CC(C)C(CC(=O)[O-])OC(=O)c1ccccc1.CC(C)c1cc(C(C)C)c(C(=O)[O-])c(C(C)C)c1.CC(F)(F)CC(=O)[O-].CC(F)(F)CC(F)(F)CC(=O)[O-].CC(F)(F)COCC(F)(F)F.CCC(=O)[O-].CCC(F)(F)CC(=O)[O-].COCC(F)(F)F.Cc1cc(C)c(C(=O)[O-])c(C)c1.Cc1ccc(C(=O)[O-])c(C)c1.Cc1ccc(C(=O)[O-])cc1.O=C([O-])C1=Cc2ccccc2C1.O=C([O-])C1C=Cc2ccccc21.O=C([O-])C1CC2C=CC1C2.O=C([O-])C1CC=CCC1.O=C([O-])C1CCc2ccccc21.O=C([O-])C1c2ccccc2-c2ccccc21.O=C([O-])CC1c2ccccc2-c2ccccc21.O=C([O-])F.O=C([O-])F.O=C([O-])c1ccc2ccccc2c1.O=C([O-])c1cccc2ccccc12.O=C([O-])c1ccccc1
InChIInChI=1S/C16H24O2.C15H12O2.C14H10O2.C13H16O4.2C11H8O2.C10H8O2.C10H10O2.C10H8O2.C10H12O2.C9H10O2.C8H10O2.C8H8O2.C7H10O2.C7H6O2.C6H8F4O2.C5H7F5O.C5H8F2O2.C4H6F2O2.C3H5F3O.C3H6O2.C2H4O2.2CHFO2/c1-9(2)12-7-13(10(3)4)15(16(17)18)14(8-12)11(5)6;16-15(17)9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14;15-14(16)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;1-9(2)11(8-12(14)15)17-13(16)10-6-4-3-5-7-10;12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;11-10(12)9-5-7-3-1-2-4-8(7)6-9;2*11-10(12)9-6-5-7-3-1-2-4-8(7)9;1-6-4-7(2)9(10(11)12)8(3)5-6;1-6-3-4-8(9(10)11)7(2)5-6;9-8(10)7-4-5-1-2-6(7)3-5;1-6-2-4-7(5-3-6)8(9)10;2*8-7(9)6-4-2-1-3-5-6;1-5(7,8)3-6(9,10)2-4(11)12;1-4(6,7)2-11-3-5(8,9)10;1-2-5(6,7)3-4(8)9;1-4(5,6)2-3(7)8;1-7-2-3(4,5)6;1-2-3(4)5;1-2(3)4;2*2-1(3)4/h7-11H,1-6H3,(H,17,18);1-8,14H,9H2,(H,16,17);1-8,13H,(H,15,16);3-7,9,11H,8H2,1-2H3,(H,14,15);2*1-7H,(H,12,13);1-5H,6H2,(H,11,12);1-4,9H,5-6H2,(H,11,12);1-6,9H,(H,11,12);4-5H,1-3H3,(H,11,12);3-5H,1-2H3,(H,10,11);1-2,5-7H,3-4H2,(H,9,10);2-5H,1H3,(H,9,10);1-2,6H,3-5H2,(H,8,9);1-5H,(H,8,9);2-3H2,1H3,(H,11,12);2-3H2,1H3;2-3H2,1H3,(H,8,9);2H2,1H3,(H,7,8);2H2,1H3;2H2,1H3,(H,4,5);1H3,(H,3,4);2*(H,3,4)/p-22
InChIKeyGVGKEHRHUYFIPQ-UHFFFAOYSA-A
XLogP14.48
TPSA927.62 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds37
Heavy Atoms255
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003565.47
LogP ≤ 514.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Analyze 3-benzoyloxy-4-methylpentanoate;bicyclo[2.2.1]hept-5-ene-2-carboxylate;cyclohex-3-ene-1-carboxylate;3,3-difluorobutanoate;3,3-difluoropentanoate;2,2-difluoro-1-(2,2,2-trifluoroethoxy)propane;2,3-dihydro-1H-indene-1-carboxylate;2,4-dimethylbenzoate;9H-fluorene-9-carboxylate;2-(9H-fluoren-9-yl)acetate;1H-indene-1-carboxylate;1H-indene-2-carboxylate;4-methylbenzoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;propanoate;3,3,5,5-tetrafluorohexanoate;1,1,1-trifluoro-2-methoxyethane;2,4,6-trimethylbenzoate;2,4,6-tri(propan-2-yl)benzoate;acetate;benzoate;dicarbonofluoridate with MolForge

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Related Compounds

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CID 122190488
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CID 18942980
[4,4,4-Trifluoro-1-naphthalen-2-yl-3-(4-propylbenzoyl)oxybutyl] 4-propylbenzoate
CID 66727870
[2-Methyl-6-[5-methyl-4-(naphthalene-2-carbonyloxy)-6-phenyl-6-(2,2,2-trifluoroacetyl)oxyhexoxy]-1-phenyl-1-(2,2,2-trifluoroacetyl)oxyhexan-3-yl] naphthalene-2-carboxylate
CID 88196571
(1-Anthracen-9-yl-2,2,2-trifluoroethyl) 4-(4-heptylcyclohexyl)benzoate
CID 88515477
[(1S)-1-anthracen-9-yl-2,2,2-trifluoroethyl] 4-(4-heptylcyclohexyl)benzoate
CID 88516577
Bis(2-methylpropyl) 4,10-bis[4-(trifluoromethyl)phenyl]perylene-3,9-dicarboxylate
CID 88925376
Bis(2-methylpropyl) 4-(4-methylphenyl)-10-[4-(trifluoromethyl)phenyl]perylene-3,9-dicarboxylate
CID 89403126
9-O-(2-methylpropyl) 3-O-propan-2-yl 4-(4-methylphenyl)-10-[4-(trifluoromethyl)phenyl]perylene-3,9-dicarboxylate
CID 89492560
3-O-(2-methylpropyl) 9-O-propan-2-yl 4,10-bis[4-(trifluoromethyl)phenyl]perylene-3,9-dicarboxylate
CID 89494812
[9-Methyl-7-[7-[9-methyl-7-[1-(2-methylprop-2-enoyloxy)ethenyl]-9-(trifluoromethyl)fluoren-2-yl]-9,9-bis(2-methylprop-2-enoyloxymethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]methyl 2-methylprop-2-enoate
CID 129041368
(1-Anthracen-1-yl-2,2,2-trifluoroethyl) 4-(4-heptylcyclohexyl)benzoate
CID 140354477

Frequently Asked Questions

What is the IUPAC name of 3-benzoyloxy-4-methylpentanoate;bicyclo[2.2.1]hept-5-ene-2-carboxylate;cyclohex-3-ene-1-carboxylate;3,3-difluorobutanoate;3,3-difluoropentanoate;2,2-difluoro-1-(2,2,2-trifluoroethoxy)propane;2,3-dihydro-1H-indene-1-carboxylate;2,4-dimethylbenzoate;9H-fluorene-9-carboxylate;2-(9H-fluoren-9-yl)acetate;1H-indene-1-carboxylate;1H-indene-2-carboxylate;4-methylbenzoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;propanoate;3,3,5,5-tetrafluorohexanoate;1,1,1-trifluoro-2-methoxyethane;2,4,6-trimethylbenzoate;2,4,6-tri(propan-2-yl)benzoate;acetate;benzoate;dicarbonofluoridate?
The IUPAC name of 3-benzoyloxy-4-methylpentanoate;bicyclo[2.2.1]hept-5-ene-2-carboxylate;cyclohex-3-ene-1-carboxylate;3,3-difluorobutanoate;3,3-difluoropentanoate;2,2-difluoro-1-(2,2,2-trifluoroethoxy)propane;2,3-dihydro-1H-indene-1-carboxylate;2,4-dimethylbenzoate;9H-fluorene-9-carboxylate;2-(9H-fluoren-9-yl)acetate;1H-indene-1-carboxylate;1H-indene-2-carboxylate;4-methylbenzoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;propanoate;3,3,5,5-tetrafluorohexanoate;1,1,1-trifluoro-2-methoxyethane;2,4,6-trimethylbenzoate;2,4,6-tri(propan-2-yl)benzoate;acetate;benzoate;dicarbonofluoridate (CID 159844347) is 3-benzoyloxy-4-methylpentanoate;bicyclo[2.2.1]hept-5-ene-2-carboxylate;cyclohex-3-ene-1-carboxylate;3,3-difluorobutanoate;3,3-difluoropentanoate;2,2-difluoro-1-(2,2,2-trifluoroethoxy)propane;2,3-dihydro-1H-indene-1-carboxylate;2,4-dimethylbenzoate;9H-fluorene-9-carboxylate;2-(9H-fluoren-9-yl)acetate;1H-indene-1-carboxylate;1H-indene-2-carboxylate;4-methylbenzoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;propanoate;3,3,5,5-tetrafluorohexanoate;1,1,1-trifluoro-2-methoxyethane;2,4,6-trimethylbenzoate;2,4,6-tri(propan-2-yl)benzoate;acetate;benzoate;dicarbonofluoridate.
What is the SMILES notation for 3-benzoyloxy-4-methylpentanoate;bicyclo[2.2.1]hept-5-ene-2-carboxylate;cyclohex-3-ene-1-carboxylate;3,3-difluorobutanoate;3,3-difluoropentanoate;2,2-difluoro-1-(2,2,2-trifluoroethoxy)propane;2,3-dihydro-1H-indene-1-carboxylate;2,4-dimethylbenzoate;9H-fluorene-9-carboxylate;2-(9H-fluoren-9-yl)acetate;1H-indene-1-carboxylate;1H-indene-2-carboxylate;4-methylbenzoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;propanoate;3,3,5,5-tetrafluorohexanoate;1,1,1-trifluoro-2-methoxyethane;2,4,6-trimethylbenzoate;2,4,6-tri(propan-2-yl)benzoate;acetate;benzoate;dicarbonofluoridate?
The canonical SMILES for 3-benzoyloxy-4-methylpentanoate;bicyclo[2.2.1]hept-5-ene-2-carboxylate;cyclohex-3-ene-1-carboxylate;3,3-difluorobutanoate;3,3-difluoropentanoate;2,2-difluoro-1-(2,2,2-trifluoroethoxy)propane;2,3-dihydro-1H-indene-1-carboxylate;2,4-dimethylbenzoate;9H-fluorene-9-carboxylate;2-(9H-fluoren-9-yl)acetate;1H-indene-1-carboxylate;1H-indene-2-carboxylate;4-methylbenzoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;propanoate;3,3,5,5-tetrafluorohexanoate;1,1,1-trifluoro-2-methoxyethane;2,4,6-trimethylbenzoate;2,4,6-tri(propan-2-yl)benzoate;acetate;benzoate;dicarbonofluoridate is CC(=O)[O-].CC(C)C(CC(=O)[O-])OC(=O)c1ccccc1.CC(C)c1cc(C(C)C)c(C(=O)[O-])c(C(C)C)c1.CC(F)(F)CC(=O)[O-].CC(F)(F)CC(F)(F)CC(=O)[O-].CC(F)(F)COCC(F)(F)F.CCC(=O)[O-].CCC(F)(F)CC(=O)[O-].COCC(F)(F)F.Cc1cc(C)c(C(=O)[O-])c(C)c1.Cc1ccc(C(=O)[O-])c(C)c1.Cc1ccc(C(=O)[O-])cc1.O=C([O-])C1=Cc2ccccc2C1.O=C([O-])C1C=Cc2ccccc21.O=C([O-])C1CC2C=CC1C2.O=C([O-])C1CC=CCC1.O=C([O-])C1CCc2ccccc21.O=C([O-])C1c2ccccc2-c2ccccc21.O=C([O-])CC1c2ccccc2-c2ccccc21.O=C([O-])F.O=C([O-])F.O=C([O-])c1ccc2ccccc2c1.O=C([O-])c1cccc2ccccc12.O=C([O-])c1ccccc1.
What is the InChIKey of 3-benzoyloxy-4-methylpentanoate;bicyclo[2.2.1]hept-5-ene-2-carboxylate;cyclohex-3-ene-1-carboxylate;3,3-difluorobutanoate;3,3-difluoropentanoate;2,2-difluoro-1-(2,2,2-trifluoroethoxy)propane;2,3-dihydro-1H-indene-1-carboxylate;2,4-dimethylbenzoate;9H-fluorene-9-carboxylate;2-(9H-fluoren-9-yl)acetate;1H-indene-1-carboxylate;1H-indene-2-carboxylate;4-methylbenzoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;propanoate;3,3,5,5-tetrafluorohexanoate;1,1,1-trifluoro-2-methoxyethane;2,4,6-trimethylbenzoate;2,4,6-tri(propan-2-yl)benzoate;acetate;benzoate;dicarbonofluoridate?
The InChIKey is GVGKEHRHUYFIPQ-UHFFFAOYSA-A. The full InChI is InChI=1S/C16H24O2.C15H12O2.C14H10O2.C13H16O4.2C11H8O2.C10H8O2.C10H10O2.C10H8O2.C10H12O2.C9H10O2.C8H10O2.C8H8O2.C7H10O2.C7H6O2.C6H8F4O2.C5H7F5O.C5H8F2O2.C4H6F2O2.C3H5F3O.C3H6O2.C2H4O2.2CHFO2/c1-9(2)12-7-13(10(3)4)15(16(17)18)14(8-12)11(5)6;16-15(17)9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14;15-14(16)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;1-9(2)11(8-12(14)15)17-13(16)10-6-4-3-5-7-10;12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;11-10(12)9-5-7-3-1-2-4-8(7)6-9;2*11-10(12)9-6-5-7-3-1-2-4-8(7)9;1-6-4-7(2)9(10(11)12)8(3)5-6;1-6-3-4-8(9(10)11)7(2)5-6;9-8(10)7-4-5-1-2-6(7)3-5;1-6-2-4-7(5-3-6)8(9)10;2*8-7(9)6-4-2-1-3-5-6;1-5(7,8)3-6(9,10)2-4(11)12;1-4(6,7)2-11-3-5(8,9)10;1-2-5(6,7)3-4(8)9;1-4(5,6)2-3(7)8;1-7-2-3(4,5)6;1-2-3(4)5;1-2(3)4;2*2-1(3)4/h7-11H,1-6H3,(H,17,18);1-8,14H,9H2,(H,16,17);1-8,13H,(H,15,16);3-7,9,11H,8H2,1-2H3,(H,14,15);2*1-7H,(H,12,13);1-5H,6H2,(H,11,12);1-4,9H,5-6H2,(H,11,12);1-6,9H,(H,11,12);4-5H,1-3H3,(H,11,12);3-5H,1-2H3,(H,10,11);1-2,5-7H,3-4H2,(H,9,10);2-5H,1H3,(H,9,10);1-2,6H,3-5H2,(H,8,9);1-5H,(H,8,9);2-3H2,1H3,(H,11,12);2-3H2,1H3;2-3H2,1H3,(H,8,9);2H2,1H3,(H,7,8);2H2,1H3;2H2,1H3,(H,4,5);1H3,(H,3,4);2*(H,3,4)/p-22.
What are the key properties of 3-benzoyloxy-4-methylpentanoate;bicyclo[2.2.1]hept-5-ene-2-carboxylate;cyclohex-3-ene-1-carboxylate;3,3-difluorobutanoate;3,3-difluoropentanoate;2,2-difluoro-1-(2,2,2-trifluoroethoxy)propane;2,3-dihydro-1H-indene-1-carboxylate;2,4-dimethylbenzoate;9H-fluorene-9-carboxylate;2-(9H-fluoren-9-yl)acetate;1H-indene-1-carboxylate;1H-indene-2-carboxylate;4-methylbenzoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;propanoate;3,3,5,5-tetrafluorohexanoate;1,1,1-trifluoro-2-methoxyethane;2,4,6-trimethylbenzoate;2,4,6-tri(propan-2-yl)benzoate;acetate;benzoate;dicarbonofluoridate?
3-benzoyloxy-4-methylpentanoate;bicyclo[2.2.1]hept-5-ene-2-carboxylate;cyclohex-3-ene-1-carboxylate;3,3-difluorobutanoate;3,3-difluoropentanoate;2,2-difluoro-1-(2,2,2-trifluoroethoxy)propane;2,3-dihydro-1H-indene-1-carboxylate;2,4-dimethylbenzoate;9H-fluorene-9-carboxylate;2-(9H-fluoren-9-yl)acetate;1H-indene-1-carboxylate;1H-indene-2-carboxylate;4-methylbenzoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;propanoate;3,3,5,5-tetrafluorohexanoate;1,1,1-trifluoro-2-methoxyethane;2,4,6-trimethylbenzoate;2,4,6-tri(propan-2-yl)benzoate;acetate;benzoate;dicarbonofluoridate has a molecular weight of 3565.47 g/mol, XLogP of 14.48, 37 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyloxy-4-methylpentanoate;bicyclo[2.2.1]hept-5-ene-2-carboxylate;cyclohex-3-ene-1-carboxylate;3,3-difluorobutanoate;3,3-difluoropentanoate;2,2-difluoro-1-(2,2,2-trifluoroethoxy)propane;2,3-dihydro-1H-indene-1-carboxylate;2,4-dimethylbenzoate;9H-fluorene-9-carboxylate;2-(9H-fluoren-9-yl)acetate;1H-indene-1-carboxylate;1H-indene-2-carboxylate;4-methylbenzoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;propanoate;3,3,5,5-tetrafluorohexanoate;1,1,1-trifluoro-2-methoxyethane;2,4,6-trimethylbenzoate;2,4,6-tri(propan-2-yl)benzoate;acetate;benzoate;dicarbonofluoridate is sourced from PubChem (CID 159844347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).