[3-(1,1-difluoro-2,2-dimethylpropoxy)-2-(3-hydroxyadamantane-1-carbonyl)oxypropyl] 3-hydroxyadamantane-1-carboxylate;3-[[2-(1,1-difluoro-2,2-dimethylpropoxy)-2-hydroxyethoxy]methyl]adamantan-1-ol;5-[[2-(1,1-difluoro-2,2-dimethylpropoxy)-2-hydroxyethoxy]methyl]adamantan-2-ol;[3-(1,1-difluoro-2,2-dimethylpropoxy)-2-hydroxypropyl] 3-hydroxyadamantane-1-carboxylate;[3-(1,1-difluoro-2,2-dimethylpropoxy)-2-(4-oxoadamantane-1-carbonyl)oxypropyl] 4-oxoadamantane-1-carboxylate;3-(1,1-difluoro-2,2-dimethylpropoxy)propyl 3-hydroxyadamantane-1-carboxylate;3-(1,1-difluoro-2,2-dimethylpropoxy)propyl 4-hydroxyadamantane-1-carboxylate

C153H234F14O35 — CID 158073219

About [3-(1,1-difluoro-2,2-dimethylpropoxy)-2-(3-hydroxyadamantane-1-carbonyl)oxypropyl] 3-hydroxyadamantane-1-carboxylate;3-[[2-(1,1-difluoro-2,2-dimethylpropoxy)-2-hydroxyethoxy]methyl]adamantan-1-ol;5-[[2-(1,1-difluoro-2,2-dimethylpropoxy)-2-hydroxyethoxy]methyl]adamantan-2-ol;[3-(1,1-difluoro-2,2-dimethylpropoxy)-2-hydroxypropyl] 3-hydroxyadamantane-1-carboxylate;[3-(1,1-difluoro-2,2-dimethylpropoxy)-2-(4-oxoadamantane-1-carbonyl)oxypropyl] 4-oxoadamantane-1-carboxylate;3-(1,1-difluoro-2,2-dimethylpropoxy)propyl 3-hydroxyadamantane-1-carboxylate;3-(1,1-difluoro-2,2-dimethylpropoxy)propyl 4-hydroxyadamantane-1-carboxylate

[3-(1,1-difluoro-2,2-dimethylpropoxy)-2-(3-hydroxyadamantane-1-carbonyl)oxypropyl] 3-hydroxyadamantane-1-carboxylate;3-[[2-(1,1-difluoro-2,2-dimethylpropoxy)-2-hydroxyethoxy]methyl]adamantan-1-ol;5-[[2-(1,1-difluoro-2,2-dimethylpropoxy)-2-hydroxyethoxy]methyl]adamantan-2-ol;[3-(1,1-difluoro-2,2-dimethylpropoxy)-2-hydroxypropyl] 3-hydroxyadamantane-1-carboxylate;[3-(1,1-difluoro-2,2-dimethylpropoxy)-2-(4-oxoadamantane-1-carbonyl)oxypropyl] 4-oxoadamantane-1-carboxylate;3-(1,1-difluoro-2,2-dimethylpropoxy)propyl 3-hydroxyadamantane-1-carboxylate;3-(1,1-difluoro-2,2-dimethylpropoxy)propyl 4-hydroxyadamantane-1-carboxylate (PubChem CID 158073219) has the molecular formula C153H234F14O35 and a molecular weight of 2899.49 g/mol. Its IUPAC name is [3-(1,1-difluoro-2,2-dimethylpropoxy)-2-(3-hydroxyadamantane-1-carbonyl)oxypropyl] 3-hydroxyadamantane-1-carboxylate;3-[[2-(1,1-difluoro-2,2-dimethylpropoxy)-2-hydroxyethoxy]methyl]adamantan-1-ol;5-[[2-(1,1-difluoro-2,2-dimethylpropoxy)-2-hydroxyethoxy]methyl]adamantan-2-ol;[3-(1,1-difluoro-2,2-dimethylpropoxy)-2-hydroxypropyl] 3-hydroxyadamantane-1-carboxylate;[3-(1,1-difluoro-2,2-dimethylpropoxy)-2-(4-oxoadamantane-1-carbonyl)oxypropyl] 4-oxoadamantane-1-carboxylate;3-(1,1-difluoro-2,2-dimethylpropoxy)propyl 3-hydroxyadamantane-1-carboxylate;3-(1,1-difluoro-2,2-dimethylpropoxy)propyl 4-hydroxyadamantane-1-carboxylate.

Molecular Properties

• Compound Name: [3-(1,1-difluoro-2,2-dimethylpropoxy)-2-(3-hydroxyadamantane-1-carbonyl)oxypropyl] 3-hydroxyadamantane-1-carboxylate;3-[[2-(1,1-difluoro-2,2-dimethylpropoxy)-2-hydroxyethoxy]methyl]adamantan-1-ol;5-[[2-(1,1-difluoro-2,2-dimethylpropoxy)-2-hydroxyethoxy]methyl]adamantan-2-ol;[3-(1,1-difluoro-2,2-dimethylpropoxy)-2-hydroxypropyl] 3-hydroxyadamantane-1-carboxylate;[3-(1,1-difluoro-2,2-dimethylpropoxy)-2-(4-oxoadamantane-1-carbonyl)oxypropyl] 4-oxoadamantane-1-carboxylate;3-(1,1-difluoro-2,2-dimethylpropoxy)propyl 3-hydroxyadamantane-1-carboxylate;3-(1,1-difluoro-2,2-dimethylpropoxy)propyl 4-hydroxyadamantane-1-carboxylate
• PubChem CID: 158073219
• Molecular Formula: C153H234F14O35
• Molecular Weight: 2899.49 g/mol
• Exact Mass: 2897.63
• IUPAC Name: [3-(1,1-difluoro-2,2-dimethylpropoxy)-2-(3-hydroxyadamantane-1-carbonyl)oxypropyl] 3-hydroxyadamantane-1-carboxylate;3-[[2-(1,1-difluoro-2,2-dimethylpropoxy)-2-hydroxyethoxy]methyl]adamantan-1-ol;5-[[2-(1,1-difluoro-2,2-dimethylpropoxy)-2-hydroxyethoxy]methyl]adamantan-2-ol;[3-(1,1-difluoro-2,2-dimethylpropoxy)-2-hydroxypropyl] 3-hydroxyadamantane-1-carboxylate;[3-(1,1-difluoro-2,2-dimethylpropoxy)-2-(4-oxoadamantane-1-carbonyl)oxypropyl] 4-oxoadamantane-1-carboxylate;3-(1,1-difluoro-2,2-dimethylpropoxy)propyl 3-hydroxyadamantane-1-carboxylate;3-(1,1-difluoro-2,2-dimethylpropoxy)propyl 4-hydroxyadamantane-1-carboxylate
• SMILES: CC(C)(C)C(F)(F)OC(O)COCC12CC3CC(C1)C(O)C(C3)C2.CC(C)(C)C(F)(F)OC(O)COCC12CC3CC(CC(O)(C3)C1)C2.CC(C)(C)C(F)(F)OCC(COC(=O)C12CC3CC(C1)C(=O)C(C3)C2)OC(=O)C12CC3CC(C1)C(=O)C(C3)C2.CC(C)(C)C(F)(F)OCC(COC(=O)C12CC3CC(CC(O)(C3)C1)C2)OC(=O)C12CC3CC(CC(O)(C3)C1)C2.CC(C)(C)C(F)(F)OCC(O)COC(=O)C12CC3CC(CC(O)(C3)C1)C2.CC(C)(C)C(F)(F)OCCCOC(=O)C12CC3CC(C1)C(O)C(C3)C2.CC(C)(C)C(F)(F)OCCCOC(=O)C12CC3CC(CC(O)(C3)C1)C2
• InChI: InChI=1S/C30H44F2O7.C30H40F2O7.C19H30F2O5.2C19H30F2O4.2C18H30F2O4/c1-25(2,3)30(31,32)38-15-22(39-24(34)27-8-20-5-21(9-27)13-29(36,12-20)17-27)14-37-23(33)26-6-18-4-19(7-26)11-28(35,10-18)16-26;1-27(2,3)30(31,32)38-15-22(39-26(36)29-9-17-6-20(12-29)24(34)21(7-17)13-29)14-37-25(35)28-8-16-4-18(10-28)23(33)19(5-16)11-28;1-16(2,3)19(20,21)26-10-14(22)9-25-15(23)17-5-12-4-13(6-17)8-18(24,7-12)11-17;1-16(2,3)19(20,21)25-6-4-5-24-15(22)17-8-13-7-14(9-17)11-18(23,10-13)12-17;1-17(2,3)19(20,21)25-6-4-5-24-16(23)18-9-12-7-13(10-18)15(22)14(8-12)11-18;1-15(2,3)18(19,20)24-14(21)9-23-11-16-5-12-4-13(6-16)8-17(22,7-12)10-16;1-16(2,3)18(19,20)24-14(21)9-23-10-17-6-11-4-12(7-17)15(22)13(5-11)8-17/h18-22,35-36H,4-17H2,1-3H3;16-22H,4-15H2,1-3H3;12-14,22,24H,4-11H2,1-3H3;13-14,23H,4-12H2,1-3H3;12-15,22H,4-11H2,1-3H3;12-14,21-22H,4-11H2,1-3H3;11-15,21-22H,4-10H2,1-3H3
• InChIKey: FMBFKYQGYDDKOO-UHFFFAOYSA-N
• XLogP: 26.67
• TPSA: 503.61 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 35
• Rotatable Bonds: 46
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2899.49
LogP ≤ 5	26.67
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-(1,1-difluoro-2,2-dimethylpropoxy)-2-(3-hydroxyadamantane-1-carbonyl)oxypropyl] 3-hydroxyadamantane-1-carboxylate;3-[[2-(1,1-difluoro-2,2-dimethylpropoxy)-2-hydroxyethoxy]methyl]adamantan-1-ol;5-[[2-(1,1-difluoro-2,2-dimethylpropoxy)-2-hydroxyethoxy]methyl]adamantan-2-ol;[3-(1,1-difluoro-2,2-dimethylpropoxy)-2-hydroxypropyl] 3-hydroxyadamantane-1-carboxylate;[3-(1,1-difluoro-2,2-dimethylpropoxy)-2-(4-oxoadamantane-1-carbonyl)oxypropyl] 4-oxoadamantane-1-carboxylate;3-(1,1-difluoro-2,2-dimethylpropoxy)propyl 3-hydroxyadamantane-1-carboxylate;3-(1,1-difluoro-2,2-dimethylpropoxy)propyl 4-hydroxyadamantane-1-carboxylate?

The IUPAC name of [3-(1,1-difluoro-2,2-dimethylpropoxy)-2-(3-hydroxyadamantane-1-carbonyl)oxypropyl] 3-hydroxyadamantane-1-carboxylate;3-[[2-(1,1-difluoro-2,2-dimethylpropoxy)-2-hydroxyethoxy]methyl]adamantan-1-ol;5-[[2-(1,1-difluoro-2,2-dimethylpropoxy)-2-hydroxyethoxy]methyl]adamantan-2-ol;[3-(1,1-difluoro-2,2-dimethylpropoxy)-2-hydroxypropyl] 3-hydroxyadamantane-1-carboxylate;[3-(1,1-difluoro-2,2-dimethylpropoxy)-2-(4-oxoadamantane-1-carbonyl)oxypropyl] 4-oxoadamantane-1-carboxylate;3-(1,1-difluoro-2,2-dimethylpropoxy)propyl 3-hydroxyadamantane-1-carboxylate;3-(1,1-difluoro-2,2-dimethylpropoxy)propyl 4-hydroxyadamantane-1-carboxylate (CID 158073219) is [3-(1,1-difluoro-2,2-dimethylpropoxy)-2-(3-hydroxyadamantane-1-carbonyl)oxypropyl] 3-hydroxyadamantane-1-carboxylate;3-[[2-(1,1-difluoro-2,2-dimethylpropoxy)-2-hydroxyethoxy]methyl]adamantan-1-ol;5-[[2-(1,1-difluoro-2,2-dimethylpropoxy)-2-hydroxyethoxy]methyl]adamantan-2-ol;[3-(1,1-difluoro-2,2-dimethylpropoxy)-2-hydroxypropyl] 3-hydroxyadamantane-1-carboxylate;[3-(1,1-difluoro-2,2-dimethylpropoxy)-2-(4-oxoadamantane-1-carbonyl)oxypropyl] 4-oxoadamantane-1-carboxylate;3-(1,1-difluoro-2,2-dimethylpropoxy)propyl 3-hydroxyadamantane-1-carboxylate;3-(1,1-difluoro-2,2-dimethylpropoxy)propyl 4-hydroxyadamantane-1-carboxylate.

What is the SMILES notation for [3-(1,1-difluoro-2,2-dimethylpropoxy)-2-(3-hydroxyadamantane-1-carbonyl)oxypropyl] 3-hydroxyadamantane-1-carboxylate;3-[[2-(1,1-difluoro-2,2-dimethylpropoxy)-2-hydroxyethoxy]methyl]adamantan-1-ol;5-[[2-(1,1-difluoro-2,2-dimethylpropoxy)-2-hydroxyethoxy]methyl]adamantan-2-ol;[3-(1,1-difluoro-2,2-dimethylpropoxy)-2-hydroxypropyl] 3-hydroxyadamantane-1-carboxylate;[3-(1,1-difluoro-2,2-dimethylpropoxy)-2-(4-oxoadamantane-1-carbonyl)oxypropyl] 4-oxoadamantane-1-carboxylate;3-(1,1-difluoro-2,2-dimethylpropoxy)propyl 3-hydroxyadamantane-1-carboxylate;3-(1,1-difluoro-2,2-dimethylpropoxy)propyl 4-hydroxyadamantane-1-carboxylate?

The canonical SMILES for [3-(1,1-difluoro-2,2-dimethylpropoxy)-2-(3-hydroxyadamantane-1-carbonyl)oxypropyl] 3-hydroxyadamantane-1-carboxylate;3-[[2-(1,1-difluoro-2,2-dimethylpropoxy)-2-hydroxyethoxy]methyl]adamantan-1-ol;5-[[2-(1,1-difluoro-2,2-dimethylpropoxy)-2-hydroxyethoxy]methyl]adamantan-2-ol;[3-(1,1-difluoro-2,2-dimethylpropoxy)-2-hydroxypropyl] 3-hydroxyadamantane-1-carboxylate;[3-(1,1-difluoro-2,2-dimethylpropoxy)-2-(4-oxoadamantane-1-carbonyl)oxypropyl] 4-oxoadamantane-1-carboxylate;3-(1,1-difluoro-2,2-dimethylpropoxy)propyl 3-hydroxyadamantane-1-carboxylate;3-(1,1-difluoro-2,2-dimethylpropoxy)propyl 4-hydroxyadamantane-1-carboxylate is CC(C)(C)C(F)(F)OC(O)COCC12CC3CC(C1)C(O)C(C3)C2.CC(C)(C)C(F)(F)OC(O)COCC12CC3CC(CC(O)(C3)C1)C2.CC(C)(C)C(F)(F)OCC(COC(=O)C12CC3CC(C1)C(=O)C(C3)C2)OC(=O)C12CC3CC(C1)C(=O)C(C3)C2.CC(C)(C)C(F)(F)OCC(COC(=O)C12CC3CC(CC(O)(C3)C1)C2)OC(=O)C12CC3CC(CC(O)(C3)C1)C2.CC(C)(C)C(F)(F)OCC(O)COC(=O)C12CC3CC(CC(O)(C3)C1)C2.CC(C)(C)C(F)(F)OCCCOC(=O)C12CC3CC(C1)C(O)C(C3)C2.CC(C)(C)C(F)(F)OCCCOC(=O)C12CC3CC(CC(O)(C3)C1)C2.

What is the InChIKey of [3-(1,1-difluoro-2,2-dimethylpropoxy)-2-(3-hydroxyadamantane-1-carbonyl)oxypropyl] 3-hydroxyadamantane-1-carboxylate;3-[[2-(1,1-difluoro-2,2-dimethylpropoxy)-2-hydroxyethoxy]methyl]adamantan-1-ol;5-[[2-(1,1-difluoro-2,2-dimethylpropoxy)-2-hydroxyethoxy]methyl]adamantan-2-ol;[3-(1,1-difluoro-2,2-dimethylpropoxy)-2-hydroxypropyl] 3-hydroxyadamantane-1-carboxylate;[3-(1,1-difluoro-2,2-dimethylpropoxy)-2-(4-oxoadamantane-1-carbonyl)oxypropyl] 4-oxoadamantane-1-carboxylate;3-(1,1-difluoro-2,2-dimethylpropoxy)propyl 3-hydroxyadamantane-1-carboxylate;3-(1,1-difluoro-2,2-dimethylpropoxy)propyl 4-hydroxyadamantane-1-carboxylate?

The InChIKey is FMBFKYQGYDDKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44F2O7.C30H40F2O7.C19H30F2O5.2C19H30F2O4.2C18H30F2O4/c1-25(2,3)30(31,32)38-15-22(39-24(34)27-8-20-5-21(9-27)13-29(36,12-20)17-27)14-37-23(33)26-6-18-4-19(7-26)11-28(35,10-18)16-26;1-27(2,3)30(31,32)38-15-22(39-26(36)29-9-17-6-20(12-29)24(34)21(7-17)13-29)14-37-25(35)28-8-16-4-18(10-28)23(33)19(5-16)11-28;1-16(2,3)19(20,21)26-10-14(22)9-25-15(23)17-5-12-4-13(6-17)8-18(24,7-12)11-17;1-16(2,3)19(20,21)25-6-4-5-24-15(22)17-8-13-7-14(9-17)11-18(23,10-13)12-17;1-17(2,3)19(20,21)25-6-4-5-24-16(23)18-9-12-7-13(10-18)15(22)14(8-12)11-18;1-15(2,3)18(19,20)24-14(21)9-23-11-16-5-12-4-13(6-16)8-17(22,7-12)10-16;1-16(2,3)18(19,20)24-14(21)9-23-10-17-6-11-4-12(7-17)15(22)13(5-11)8-17/h18-22,35-36H,4-17H2,1-3H3;16-22H,4-15H2,1-3H3;12-14,22,24H,4-11H2,1-3H3;13-14,23H,4-12H2,1-3H3;12-15,22H,4-11H2,1-3H3;12-14,21-22H,4-11H2,1-3H3;11-15,21-22H,4-10H2,1-3H3.

What are the key properties of [3-(1,1-difluoro-2,2-dimethylpropoxy)-2-(3-hydroxyadamantane-1-carbonyl)oxypropyl] 3-hydroxyadamantane-1-carboxylate;3-[[2-(1,1-difluoro-2,2-dimethylpropoxy)-2-hydroxyethoxy]methyl]adamantan-1-ol;5-[[2-(1,1-difluoro-2,2-dimethylpropoxy)-2-hydroxyethoxy]methyl]adamantan-2-ol;[3-(1,1-difluoro-2,2-dimethylpropoxy)-2-hydroxypropyl] 3-hydroxyadamantane-1-carboxylate;[3-(1,1-difluoro-2,2-dimethylpropoxy)-2-(4-oxoadamantane-1-carbonyl)oxypropyl] 4-oxoadamantane-1-carboxylate;3-(1,1-difluoro-2,2-dimethylpropoxy)propyl 3-hydroxyadamantane-1-carboxylate;3-(1,1-difluoro-2,2-dimethylpropoxy)propyl 4-hydroxyadamantane-1-carboxylate?

[3-(1,1-difluoro-2,2-dimethylpropoxy)-2-(3-hydroxyadamantane-1-carbonyl)oxypropyl] 3-hydroxyadamantane-1-carboxylate;3-[[2-(1,1-difluoro-2,2-dimethylpropoxy)-2-hydroxyethoxy]methyl]adamantan-1-ol;5-[[2-(1,1-difluoro-2,2-dimethylpropoxy)-2-hydroxyethoxy]methyl]adamantan-2-ol;[3-(1,1-difluoro-2,2-dimethylpropoxy)-2-hydroxypropyl] 3-hydroxyadamantane-1-carboxylate;[3-(1,1-difluoro-2,2-dimethylpropoxy)-2-(4-oxoadamantane-1-carbonyl)oxypropyl] 4-oxoadamantane-1-carboxylate;3-(1,1-difluoro-2,2-dimethylpropoxy)propyl 3-hydroxyadamantane-1-carboxylate;3-(1,1-difluoro-2,2-dimethylpropoxy)propyl 4-hydroxyadamantane-1-carboxylate has a molecular weight of 2899.49 g/mol, XLogP of 26.67, 46 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(1,1-difluoro-2,2-dimethylpropoxy)-2-(3-hydroxyadamantane-1-carbonyl)oxypropyl] 3-hydroxyadamantane-1-carboxylate;3-[[2-(1,1-difluoro-2,2-dimethylpropoxy)-2-hydroxyethoxy]methyl]adamantan-1-ol;5-[[2-(1,1-difluoro-2,2-dimethylpropoxy)-2-hydroxyethoxy]methyl]adamantan-2-ol;[3-(1,1-difluoro-2,2-dimethylpropoxy)-2-hydroxypropyl] 3-hydroxyadamantane-1-carboxylate;[3-(1,1-difluoro-2,2-dimethylpropoxy)-2-(4-oxoadamantane-1-carbonyl)oxypropyl] 4-oxoadamantane-1-carboxylate;3-(1,1-difluoro-2,2-dimethylpropoxy)propyl 3-hydroxyadamantane-1-carboxylate;3-(1,1-difluoro-2,2-dimethylpropoxy)propyl 4-hydroxyadamantane-1-carboxylate is sourced from PubChem (CID 158073219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).