2-(1-bromo-2,2-dimethylpropoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2,2-dimethylpropoxy)-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2,2-dimethylpropoxy)-4-oxa-5λ6-thiatricyclo[4.3.1.03,7]decane 5,5-dioxide;2-(1-bromo-2,2-dimethylpropoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4-oxa-5λ6-thiatricyclo[4.3.1.03,7]decane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromopropoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromopropoxy)-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromopropoxy)-4-oxa-5λ6-thiatricyclo[4.3.1.03,7]decane 5,5-dioxide;2-(1-bromopropoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(iodomethoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(iodomethoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide

C144H218Br12I2O60S17 — CID 158270337

About 2-(1-bromo-2,2-dimethylpropoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2,2-dimethylpropoxy)-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2,2-dimethylpropoxy)-4-oxa-5λ6-thiatricyclo[4.3.1.03,7]decane 5,5-dioxide;2-(1-bromo-2,2-dimethylpropoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4-oxa-5λ6-thiatricyclo[4.3.1.03,7]decane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromopropoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromopropoxy)-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromopropoxy)-4-oxa-5λ6-thiatricyclo[4.3.1.03,7]decane 5,5-dioxide;2-(1-bromopropoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(iodomethoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(iodomethoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide

2-(1-bromo-2,2-dimethylpropoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2,2-dimethylpropoxy)-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2,2-dimethylpropoxy)-4-oxa-5λ6-thiatricyclo[4.3.1.03,7]decane 5,5-dioxide;2-(1-bromo-2,2-dimethylpropoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4-oxa-5λ6-thiatricyclo[4.3.1.03,7]decane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromopropoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromopropoxy)-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromopropoxy)-4-oxa-5λ6-thiatricyclo[4.3.1.03,7]decane 5,5-dioxide;2-(1-bromopropoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(iodomethoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(iodomethoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide (PubChem CID 158270337) has the molecular formula C144H218Br12I2O60S17 and a molecular weight of 4667.06 g/mol. Its IUPAC name is 2-(1-bromo-2,2-dimethylpropoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2,2-dimethylpropoxy)-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2,2-dimethylpropoxy)-4-oxa-5λ6-thiatricyclo[4.3.1.03,7]decane 5,5-dioxide;2-(1-bromo-2,2-dimethylpropoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4-oxa-5λ6-thiatricyclo[4.3.1.03,7]decane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromopropoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromopropoxy)-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromopropoxy)-4-oxa-5λ6-thiatricyclo[4.3.1.03,7]decane 5,5-dioxide;2-(1-bromopropoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(iodomethoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(iodomethoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide.

Molecular Properties

• Compound Name: 2-(1-bromo-2,2-dimethylpropoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2,2-dimethylpropoxy)-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2,2-dimethylpropoxy)-4-oxa-5λ6-thiatricyclo[4.3.1.03,7]decane 5,5-dioxide;2-(1-bromo-2,2-dimethylpropoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4-oxa-5λ6-thiatricyclo[4.3.1.03,7]decane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromopropoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromopropoxy)-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromopropoxy)-4-oxa-5λ6-thiatricyclo[4.3.1.03,7]decane 5,5-dioxide;2-(1-bromopropoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(iodomethoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(iodomethoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide
• PubChem CID: 158270337
• Molecular Formula: C144H218Br12I2O60S17
• Molecular Weight: 4667.06 g/mol
• Exact Mass: 4651.75
• IUPAC Name: 2-(1-bromo-2,2-dimethylpropoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2,2-dimethylpropoxy)-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2,2-dimethylpropoxy)-4-oxa-5λ6-thiatricyclo[4.3.1.03,7]decane 5,5-dioxide;2-(1-bromo-2,2-dimethylpropoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4-oxa-5λ6-thiatricyclo[4.3.1.03,7]decane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromopropoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromopropoxy)-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromopropoxy)-4-oxa-5λ6-thiatricyclo[4.3.1.03,7]decane 5,5-dioxide;2-(1-bromopropoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(iodomethoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(iodomethoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide
• SMILES: CC(C)(C)C(Br)OC1C2CC3C(O2)C1OS3(=O)=O.CC(C)(C)C(Br)OC1C2CC3C(S2)C1OS3(=O)=O.CC(C)(C)C(Br)OC1C2CC3C1OS(=O)(=O)C3C2.CC(C)(C)C(Br)OC1C2CCC3C1OS(=O)(=O)C3C2.CC(C)C(Br)OC1C2CC3C(O2)C1OS3(=O)=O.CC(C)C(Br)OC1C2CC3C(S2)C1OS3(=O)=O.CC(C)C(Br)OC1C2CC3C1OS(=O)(=O)C3C2.CC(C)C(Br)OC1C2CCC3C1OS(=O)(=O)C3C2.CCC(Br)OC1C2CC3C(O2)C1OS3(=O)=O.CCC(Br)OC1C2CC3C(S2)C1OS3(=O)=O.CCC(Br)OC1C2CC3C1OS(=O)(=O)C3C2.CCC(Br)OC1C2CCC3C1OS(=O)(=O)C3C2.O=S1(=O)OC2C(OCI)C3CC1C2O3.O=S1(=O)OC2C3CC(CC31)C2OCI
• InChI: InChI=1S/C13H21BrO4S.2C12H19BrO4S.C11H17BrO5S.C11H17BrO4S2.2C11H17BrO4S.C10H15BrO5S.C10H15BrO4S2.C10H15BrO4S.C9H13BrO5S.C9H13BrO4S2.C8H11IO4S.C7H9IO5S/c1-13(2,3)12(14)17-10-7-4-5-8-9(6-7)19(15,16)18-11(8)10;1-12(2,3)11(13)16-9-6-4-7-8(5-6)18(14,15)17-10(7)9;1-6(2)12(13)16-10-7-3-4-8-9(5-7)18(14,15)17-11(8)10;1-11(2,3)10(12)16-7-5-4-6-8(15-5)9(7)17-18(6,13)14;1-11(2,3)10(12)15-7-5-4-6-9(17-5)8(7)16-18(6,13)14;1-5(2)11(12)15-9-6-3-7-8(4-6)17(13,14)16-10(7)9;1-2-9(12)15-10-6-3-4-7-8(5-6)17(13,14)16-11(7)10;1-4(2)10(11)15-7-5-3-6-8(14-5)9(7)16-17(6,12)13;1-4(2)10(11)14-7-5-3-6-9(16-5)8(7)15-17(6,12)13;1-2-8(11)14-9-5-3-6-7(4-5)16(12,13)15-10(6)9;1-2-6(10)14-7-4-3-5-8(13-4)9(7)15-16(5,11)12;1-2-6(10)13-7-4-3-5-9(15-4)8(7)14-16(5,11)12;9-3-12-7-4-1-5-6(2-4)14(10,11)13-8(5)7;8-2-11-5-3-1-4-6(12-3)7(5)13-14(4,9)10/h7-12H,4-6H2,1-3H3;6-11H,4-5H2,1-3H3;6-12H,3-5H2,1-2H3;2*5-10H,4H2,1-3H3;5-11H,3-4H2,1-2H3;6-11H,2-5H2,1H3;2*4-10H,3H2,1-2H3;5-10H,2-4H2,1H3;2*4-9H,2-3H2,1H3;4-8H,1-3H2;3-7H,1-2H2
• InChIKey: GIYITNYDCGRNRT-UHFFFAOYSA-N
• XLogP: 22.25
• TPSA: 773.32 Ų
• H-Bond Acceptors: 63
• Rotatable Bonds: 36
• Heavy Atoms: 235
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4667.06
LogP ≤ 5	22.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	63

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromo-2,2-dimethylpropoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2,2-dimethylpropoxy)-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2,2-dimethylpropoxy)-4-oxa-5λ6-thiatricyclo[4.3.1.03,7]decane 5,5-dioxide;2-(1-bromo-2,2-dimethylpropoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4-oxa-5λ6-thiatricyclo[4.3.1.03,7]decane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromopropoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromopropoxy)-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromopropoxy)-4-oxa-5λ6-thiatricyclo[4.3.1.03,7]decane 5,5-dioxide;2-(1-bromopropoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(iodomethoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(iodomethoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide?

The IUPAC name of 2-(1-bromo-2,2-dimethylpropoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2,2-dimethylpropoxy)-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2,2-dimethylpropoxy)-4-oxa-5λ6-thiatricyclo[4.3.1.03,7]decane 5,5-dioxide;2-(1-bromo-2,2-dimethylpropoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4-oxa-5λ6-thiatricyclo[4.3.1.03,7]decane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromopropoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromopropoxy)-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromopropoxy)-4-oxa-5λ6-thiatricyclo[4.3.1.03,7]decane 5,5-dioxide;2-(1-bromopropoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(iodomethoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(iodomethoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide (CID 158270337) is 2-(1-bromo-2,2-dimethylpropoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2,2-dimethylpropoxy)-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2,2-dimethylpropoxy)-4-oxa-5λ6-thiatricyclo[4.3.1.03,7]decane 5,5-dioxide;2-(1-bromo-2,2-dimethylpropoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4-oxa-5λ6-thiatricyclo[4.3.1.03,7]decane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromopropoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromopropoxy)-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromopropoxy)-4-oxa-5λ6-thiatricyclo[4.3.1.03,7]decane 5,5-dioxide;2-(1-bromopropoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(iodomethoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(iodomethoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide.

What is the SMILES notation for 2-(1-bromo-2,2-dimethylpropoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2,2-dimethylpropoxy)-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2,2-dimethylpropoxy)-4-oxa-5λ6-thiatricyclo[4.3.1.03,7]decane 5,5-dioxide;2-(1-bromo-2,2-dimethylpropoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4-oxa-5λ6-thiatricyclo[4.3.1.03,7]decane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromopropoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromopropoxy)-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromopropoxy)-4-oxa-5λ6-thiatricyclo[4.3.1.03,7]decane 5,5-dioxide;2-(1-bromopropoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(iodomethoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(iodomethoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide?

The canonical SMILES for 2-(1-bromo-2,2-dimethylpropoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2,2-dimethylpropoxy)-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2,2-dimethylpropoxy)-4-oxa-5λ6-thiatricyclo[4.3.1.03,7]decane 5,5-dioxide;2-(1-bromo-2,2-dimethylpropoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4-oxa-5λ6-thiatricyclo[4.3.1.03,7]decane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromopropoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromopropoxy)-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromopropoxy)-4-oxa-5λ6-thiatricyclo[4.3.1.03,7]decane 5,5-dioxide;2-(1-bromopropoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(iodomethoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(iodomethoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide is CC(C)(C)C(Br)OC1C2CC3C(O2)C1OS3(=O)=O.CC(C)(C)C(Br)OC1C2CC3C(S2)C1OS3(=O)=O.CC(C)(C)C(Br)OC1C2CC3C1OS(=O)(=O)C3C2.CC(C)(C)C(Br)OC1C2CCC3C1OS(=O)(=O)C3C2.CC(C)C(Br)OC1C2CC3C(O2)C1OS3(=O)=O.CC(C)C(Br)OC1C2CC3C(S2)C1OS3(=O)=O.CC(C)C(Br)OC1C2CC3C1OS(=O)(=O)C3C2.CC(C)C(Br)OC1C2CCC3C1OS(=O)(=O)C3C2.CCC(Br)OC1C2CC3C(O2)C1OS3(=O)=O.CCC(Br)OC1C2CC3C(S2)C1OS3(=O)=O.CCC(Br)OC1C2CC3C1OS(=O)(=O)C3C2.CCC(Br)OC1C2CCC3C1OS(=O)(=O)C3C2.O=S1(=O)OC2C(OCI)C3CC1C2O3.O=S1(=O)OC2C3CC(CC31)C2OCI.

What is the InChIKey of 2-(1-bromo-2,2-dimethylpropoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2,2-dimethylpropoxy)-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2,2-dimethylpropoxy)-4-oxa-5λ6-thiatricyclo[4.3.1.03,7]decane 5,5-dioxide;2-(1-bromo-2,2-dimethylpropoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4-oxa-5λ6-thiatricyclo[4.3.1.03,7]decane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromopropoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromopropoxy)-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromopropoxy)-4-oxa-5λ6-thiatricyclo[4.3.1.03,7]decane 5,5-dioxide;2-(1-bromopropoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(iodomethoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(iodomethoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide?

The InChIKey is GIYITNYDCGRNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrO4S.2C12H19BrO4S.C11H17BrO5S.C11H17BrO4S2.2C11H17BrO4S.C10H15BrO5S.C10H15BrO4S2.C10H15BrO4S.C9H13BrO5S.C9H13BrO4S2.C8H11IO4S.C7H9IO5S/c1-13(2,3)12(14)17-10-7-4-5-8-9(6-7)19(15,16)18-11(8)10;1-12(2,3)11(13)16-9-6-4-7-8(5-6)18(14,15)17-10(7)9;1-6(2)12(13)16-10-7-3-4-8-9(5-7)18(14,15)17-11(8)10;1-11(2,3)10(12)16-7-5-4-6-8(15-5)9(7)17-18(6,13)14;1-11(2,3)10(12)15-7-5-4-6-9(17-5)8(7)16-18(6,13)14;1-5(2)11(12)15-9-6-3-7-8(4-6)17(13,14)16-10(7)9;1-2-9(12)15-10-6-3-4-7-8(5-6)17(13,14)16-11(7)10;1-4(2)10(11)15-7-5-3-6-8(14-5)9(7)16-17(6,12)13;1-4(2)10(11)14-7-5-3-6-9(16-5)8(7)15-17(6,12)13;1-2-8(11)14-9-5-3-6-7(4-5)16(12,13)15-10(6)9;1-2-6(10)14-7-4-3-5-8(13-4)9(7)15-16(5,11)12;1-2-6(10)13-7-4-3-5-9(15-4)8(7)14-16(5,11)12;9-3-12-7-4-1-5-6(2-4)14(10,11)13-8(5)7;8-2-11-5-3-1-4-6(12-3)7(5)13-14(4,9)10/h7-12H,4-6H2,1-3H3;6-11H,4-5H2,1-3H3;6-12H,3-5H2,1-2H3;2*5-10H,4H2,1-3H3;5-11H,3-4H2,1-2H3;6-11H,2-5H2,1H3;2*4-10H,3H2,1-2H3;5-10H,2-4H2,1H3;2*4-9H,2-3H2,1H3;4-8H,1-3H2;3-7H,1-2H2.

What are the key properties of 2-(1-bromo-2,2-dimethylpropoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2,2-dimethylpropoxy)-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2,2-dimethylpropoxy)-4-oxa-5λ6-thiatricyclo[4.3.1.03,7]decane 5,5-dioxide;2-(1-bromo-2,2-dimethylpropoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4-oxa-5λ6-thiatricyclo[4.3.1.03,7]decane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromopropoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromopropoxy)-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromopropoxy)-4-oxa-5λ6-thiatricyclo[4.3.1.03,7]decane 5,5-dioxide;2-(1-bromopropoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(iodomethoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(iodomethoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide?

2-(1-bromo-2,2-dimethylpropoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2,2-dimethylpropoxy)-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2,2-dimethylpropoxy)-4-oxa-5λ6-thiatricyclo[4.3.1.03,7]decane 5,5-dioxide;2-(1-bromo-2,2-dimethylpropoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4-oxa-5λ6-thiatricyclo[4.3.1.03,7]decane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromopropoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromopropoxy)-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromopropoxy)-4-oxa-5λ6-thiatricyclo[4.3.1.03,7]decane 5,5-dioxide;2-(1-bromopropoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(iodomethoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(iodomethoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide has a molecular weight of 4667.06 g/mol, XLogP of 22.25, 36 rotatable bonds, 0 hydrogen bond donors, and 63 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-bromo-2,2-dimethylpropoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2,2-dimethylpropoxy)-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2,2-dimethylpropoxy)-4-oxa-5λ6-thiatricyclo[4.3.1.03,7]decane 5,5-dioxide;2-(1-bromo-2,2-dimethylpropoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4-oxa-5λ6-thiatricyclo[4.3.1.03,7]decane 5,5-dioxide;2-(1-bromo-2-methylpropoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromopropoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromopropoxy)-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(1-bromopropoxy)-4-oxa-5λ6-thiatricyclo[4.3.1.03,7]decane 5,5-dioxide;2-(1-bromopropoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(iodomethoxy)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide;2-(iodomethoxy)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide is sourced from PubChem (CID 158270337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).