tert-butyl 3-(bromomethyl)-2-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate;tert-butyl 3-[(2S)-2-chloro-2-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]ethyl]-2-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate;tert-butyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate;tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-[(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-2-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]ethyl]benzoate;tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-[[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]methyl]benzoate;2-hydroxy-3-methylbenzoic acid;3H-1,3,4-thiadiazole-2-thione;(1S,2S,8S)-2,9,9-trimethyl-4-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane

C149H209B5BrClN4O38S4 — CID 159579065

About tert-butyl 3-(bromomethyl)-2-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate;tert-butyl 3-[(2S)-2-chloro-2-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]ethyl]-2-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate;tert-butyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate;tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-[(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-2-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]ethyl]benzoate;tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-[[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]methyl]benzoate;2-hydroxy-3-methylbenzoic acid;3H-1,3,4-thiadiazole-2-thione;(1S,2S,8S)-2,9,9-trimethyl-4-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane

tert-butyl 3-(bromomethyl)-2-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate;tert-butyl 3-[(2S)-2-chloro-2-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]ethyl]-2-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate;tert-butyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate;tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-[(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-2-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]ethyl]benzoate;tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-[[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]methyl]benzoate;2-hydroxy-3-methylbenzoic acid;3H-1,3,4-thiadiazole-2-thione;(1S,2S,8S)-2,9,9-trimethyl-4-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane (PubChem CID 159579065) has the molecular formula C149H209B5BrClN4O38S4 and a molecular weight of 2961.99 g/mol. Its IUPAC name is tert-butyl 3-(bromomethyl)-2-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate;tert-butyl 3-[(2S)-2-chloro-2-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]ethyl]-2-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate;tert-butyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate;tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-[(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-2-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]ethyl]benzoate;tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-[[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]methyl]benzoate;2-hydroxy-3-methylbenzoic acid;3H-1,3,4-thiadiazole-2-thione;(1S,2S,8S)-2,9,9-trimethyl-4-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane.

Molecular Properties

• Compound Name: tert-butyl 3-(bromomethyl)-2-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate;tert-butyl 3-[(2S)-2-chloro-2-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]ethyl]-2-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate;tert-butyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate;tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-[(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-2-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]ethyl]benzoate;tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-[[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]methyl]benzoate;2-hydroxy-3-methylbenzoic acid;3H-1,3,4-thiadiazole-2-thione;(1S,2S,8S)-2,9,9-trimethyl-4-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
• PubChem CID: 159579065
• Molecular Formula: C149H209B5BrClN4O38S4
• Molecular Weight: 2961.99 g/mol
• Exact Mass: 2959.28
• IUPAC Name: tert-butyl 3-(bromomethyl)-2-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate;tert-butyl 3-[(2S)-2-chloro-2-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]ethyl]-2-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate;tert-butyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate;tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-[(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-2-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]ethyl]benzoate;tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-[[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]methyl]benzoate;2-hydroxy-3-methylbenzoic acid;3H-1,3,4-thiadiazole-2-thione;(1S,2S,8S)-2,9,9-trimethyl-4-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
• SMILES: CC(C)(C)OC(=O)Oc1c(CB2OC3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)cccc1C(=O)OC(C)(C)C.CC(C)(C)OC(=O)Oc1c(CBr)cccc1C(=O)OC(C)(C)C.CC(C)(C)OC(=O)Oc1c(C[C@@H](Cl)B2OC3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)cccc1C(=O)OC(C)(C)C.CC(C)(C)OC(=O)Oc1c(C[C@H](Sc2nncs2)B2OC3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)cccc1C(=O)OC(C)(C)C.CC1(C)[C@@H]2CC3OB(B4OC5C[C@@H]6C[C@@H](C6(C)C)[C@]5(C)O4)O[C@@]3(C)[C@H]1C2.Cc1cccc(C(=O)O)c1O.Cc1cccc(C(=O)OC(C)(C)C)c1OC(=O)OC(C)(C)C.S=c1[nH]ncs1
• InChI: InChI=1S/C30H41BN2O7S2.C28H40BClO7.C27H39BO7.C20H32B2O4.C17H23BrO5.C17H24O5.C8H8O3.C2H2N2S2/c1-27(2,3)37-24(34)19-12-10-11-17(23(19)36-26(35)38-28(4,5)6)13-22(42-25-33-32-16-41-25)31-39-21-15-18-14-20(29(18,7)8)30(21,9)40-31;1-25(2,3)34-23(31)18-12-10-11-16(22(18)33-24(32)35-26(4,5)6)13-21(30)29-36-20-15-17-14-19(27(17,7)8)28(20,9)37-29;1-24(2,3)32-22(29)18-12-10-11-16(21(18)31-23(30)33-25(4,5)6)15-28-34-20-14-17-13-19(26(17,7)8)27(20,9)35-28;1-17(2)11-7-13(17)19(5)15(9-11)23-21(25-19)22-24-16-10-12-8-14(18(12,3)4)20(16,6)26-22;1-16(2,3)22-14(19)12-9-7-8-11(10-18)13(12)21-15(20)23-17(4,5)6;1-11-9-8-10-12(14(18)21-16(2,3)4)13(11)20-15(19)22-17(5,6)7;1-5-3-2-4-6(7(5)9)8(10)11;5-2-4-3-1-6-2/h10-12,16,18,20-22H,13-15H2,1-9H3;10-12,17,19-21H,13-15H2,1-9H3;10-12,17,19-20H,13-15H2,1-9H3;11-16H,7-10H2,1-6H3;7-9H,10H2,1-6H3;8-10H,1-7H3;2-4,9H,1H3,(H,10,11);1H,(H,4,5)/t18-,20-,21?,22-,30-;17-,19-,20?,21+,28-;17-,19-,20?,27-;11-,12-,13-,14-,15?,16?,19-,20-;;;;/m0000..../s1
• InChIKey: MITWJZKCVOXCKQ-DRBQUEPYSA-N
• XLogP: 34.15
• TPSA: 513.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 44
• Rotatable Bonds: 23
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2961.99
LogP ≤ 5	34.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(bromomethyl)-2-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate;tert-butyl 3-[(2S)-2-chloro-2-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]ethyl]-2-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate;tert-butyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate;tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-[(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-2-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]ethyl]benzoate;tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-[[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]methyl]benzoate;2-hydroxy-3-methylbenzoic acid;3H-1,3,4-thiadiazole-2-thione;(1S,2S,8S)-2,9,9-trimethyl-4-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane?

The IUPAC name of tert-butyl 3-(bromomethyl)-2-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate;tert-butyl 3-[(2S)-2-chloro-2-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]ethyl]-2-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate;tert-butyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate;tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-[(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-2-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]ethyl]benzoate;tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-[[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]methyl]benzoate;2-hydroxy-3-methylbenzoic acid;3H-1,3,4-thiadiazole-2-thione;(1S,2S,8S)-2,9,9-trimethyl-4-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane (CID 159579065) is tert-butyl 3-(bromomethyl)-2-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate;tert-butyl 3-[(2S)-2-chloro-2-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]ethyl]-2-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate;tert-butyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate;tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-[(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-2-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]ethyl]benzoate;tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-[[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]methyl]benzoate;2-hydroxy-3-methylbenzoic acid;3H-1,3,4-thiadiazole-2-thione;(1S,2S,8S)-2,9,9-trimethyl-4-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane.

What is the SMILES notation for tert-butyl 3-(bromomethyl)-2-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate;tert-butyl 3-[(2S)-2-chloro-2-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]ethyl]-2-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate;tert-butyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate;tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-[(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-2-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]ethyl]benzoate;tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-[[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]methyl]benzoate;2-hydroxy-3-methylbenzoic acid;3H-1,3,4-thiadiazole-2-thione;(1S,2S,8S)-2,9,9-trimethyl-4-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane?

The canonical SMILES for tert-butyl 3-(bromomethyl)-2-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate;tert-butyl 3-[(2S)-2-chloro-2-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]ethyl]-2-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate;tert-butyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate;tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-[(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-2-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]ethyl]benzoate;tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-[[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]methyl]benzoate;2-hydroxy-3-methylbenzoic acid;3H-1,3,4-thiadiazole-2-thione;(1S,2S,8S)-2,9,9-trimethyl-4-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane is CC(C)(C)OC(=O)Oc1c(CB2OC3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)cccc1C(=O)OC(C)(C)C.CC(C)(C)OC(=O)Oc1c(CBr)cccc1C(=O)OC(C)(C)C.CC(C)(C)OC(=O)Oc1c(C[C@@H](Cl)B2OC3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)cccc1C(=O)OC(C)(C)C.CC(C)(C)OC(=O)Oc1c(C[C@H](Sc2nncs2)B2OC3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)cccc1C(=O)OC(C)(C)C.CC1(C)[C@@H]2CC3OB(B4OC5C[C@@H]6C[C@@H](C6(C)C)[C@]5(C)O4)O[C@@]3(C)[C@H]1C2.Cc1cccc(C(=O)O)c1O.Cc1cccc(C(=O)OC(C)(C)C)c1OC(=O)OC(C)(C)C.S=c1[nH]ncs1.

What is the InChIKey of tert-butyl 3-(bromomethyl)-2-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate;tert-butyl 3-[(2S)-2-chloro-2-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]ethyl]-2-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate;tert-butyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate;tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-[(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-2-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]ethyl]benzoate;tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-[[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]methyl]benzoate;2-hydroxy-3-methylbenzoic acid;3H-1,3,4-thiadiazole-2-thione;(1S,2S,8S)-2,9,9-trimethyl-4-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane?

The InChIKey is MITWJZKCVOXCKQ-DRBQUEPYSA-N. The full InChI is InChI=1S/C30H41BN2O7S2.C28H40BClO7.C27H39BO7.C20H32B2O4.C17H23BrO5.C17H24O5.C8H8O3.C2H2N2S2/c1-27(2,3)37-24(34)19-12-10-11-17(23(19)36-26(35)38-28(4,5)6)13-22(42-25-33-32-16-41-25)31-39-21-15-18-14-20(29(18,7)8)30(21,9)40-31;1-25(2,3)34-23(31)18-12-10-11-16(22(18)33-24(32)35-26(4,5)6)13-21(30)29-36-20-15-17-14-19(27(17,7)8)28(20,9)37-29;1-24(2,3)32-22(29)18-12-10-11-16(21(18)31-23(30)33-25(4,5)6)15-28-34-20-14-17-13-19(26(17,7)8)27(20,9)35-28;1-17(2)11-7-13(17)19(5)15(9-11)23-21(25-19)22-24-16-10-12-8-14(18(12,3)4)20(16,6)26-22;1-16(2,3)22-14(19)12-9-7-8-11(10-18)13(12)21-15(20)23-17(4,5)6;1-11-9-8-10-12(14(18)21-16(2,3)4)13(11)20-15(19)22-17(5,6)7;1-5-3-2-4-6(7(5)9)8(10)11;5-2-4-3-1-6-2/h10-12,16,18,20-22H,13-15H2,1-9H3;10-12,17,19-21H,13-15H2,1-9H3;10-12,17,19-20H,13-15H2,1-9H3;11-16H,7-10H2,1-6H3;7-9H,10H2,1-6H3;8-10H,1-7H3;2-4,9H,1H3,(H,10,11);1H,(H,4,5)/t18-,20-,21?,22-,30-;17-,19-,20?,21+,28-;17-,19-,20?,27-;11-,12-,13-,14-,15?,16?,19-,20-;;;;/m0000..../s1.

What are the key properties of tert-butyl 3-(bromomethyl)-2-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate;tert-butyl 3-[(2S)-2-chloro-2-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]ethyl]-2-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate;tert-butyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate;tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-[(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-2-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]ethyl]benzoate;tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-[[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]methyl]benzoate;2-hydroxy-3-methylbenzoic acid;3H-1,3,4-thiadiazole-2-thione;(1S,2S,8S)-2,9,9-trimethyl-4-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane?

tert-butyl 3-(bromomethyl)-2-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate;tert-butyl 3-[(2S)-2-chloro-2-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]ethyl]-2-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate;tert-butyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate;tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-[(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-2-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]ethyl]benzoate;tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-[[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]methyl]benzoate;2-hydroxy-3-methylbenzoic acid;3H-1,3,4-thiadiazole-2-thione;(1S,2S,8S)-2,9,9-trimethyl-4-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane has a molecular weight of 2961.99 g/mol, XLogP of 34.15, 23 rotatable bonds, 3 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-(bromomethyl)-2-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate;tert-butyl 3-[(2S)-2-chloro-2-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]ethyl]-2-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate;tert-butyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate;tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-[(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-2-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]ethyl]benzoate;tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-[[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]methyl]benzoate;2-hydroxy-3-methylbenzoic acid;3H-1,3,4-thiadiazole-2-thione;(1S,2S,8S)-2,9,9-trimethyl-4-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane is sourced from PubChem (CID 159579065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).