dimagnesium;4-bromobutan-1-ol;2-(4-bromobutoxy)oxane;bis(2-butoxyoxane);(8R,9S,13S,14S,15R)-15-(4-hydroxybutyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one;(8R,9S,13S,14S)-3-methoxy-13-methyl-7,8,9,11,12,14-hexahydro-6H-cyclopenta[a]phenanthren-17-one;(8R,9S,13S,14S,15R)-3-methoxy-13-methyl-15-[4-(oxan-2-yloxy)butyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one;4-[(8R,9S,13S,14S,15R)-3-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]butanoic acid;oxolane;dibromide

C128H192Br4Mg2O21 — CID 160868882

About dimagnesium;4-bromobutan-1-ol;2-(4-bromobutoxy)oxane;bis(2-butoxyoxane);(8R,9S,13S,14S,15R)-15-(4-hydroxybutyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one;(8R,9S,13S,14S)-3-methoxy-13-methyl-7,8,9,11,12,14-hexahydro-6H-cyclopenta[a]phenanthren-17-one;(8R,9S,13S,14S,15R)-3-methoxy-13-methyl-15-[4-(oxan-2-yloxy)butyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one;4-[(8R,9S,13S,14S,15R)-3-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]butanoic acid;oxolane;dibromide

dimagnesium;4-bromobutan-1-ol;2-(4-bromobutoxy)oxane;bis(2-butoxyoxane);(8R,9S,13S,14S,15R)-15-(4-hydroxybutyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one;(8R,9S,13S,14S)-3-methoxy-13-methyl-7,8,9,11,12,14-hexahydro-6H-cyclopenta[a]phenanthren-17-one;(8R,9S,13S,14S,15R)-3-methoxy-13-methyl-15-[4-(oxan-2-yloxy)butyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one;4-[(8R,9S,13S,14S,15R)-3-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]butanoic acid;oxolane;dibromide (PubChem CID 160868882) has the molecular formula C128H192Br4Mg2O21 and a molecular weight of 2435.15 g/mol. Its IUPAC name is dimagnesium;4-bromobutan-1-ol;2-(4-bromobutoxy)oxane;bis(2-butoxyoxane);(8R,9S,13S,14S,15R)-15-(4-hydroxybutyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one;(8R,9S,13S,14S)-3-methoxy-13-methyl-7,8,9,11,12,14-hexahydro-6H-cyclopenta[a]phenanthren-17-one;(8R,9S,13S,14S,15R)-3-methoxy-13-methyl-15-[4-(oxan-2-yloxy)butyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one;4-[(8R,9S,13S,14S,15R)-3-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]butanoic acid;oxolane;dibromide.

Molecular Properties

• Compound Name: dimagnesium;4-bromobutan-1-ol;2-(4-bromobutoxy)oxane;bis(2-butoxyoxane);(8R,9S,13S,14S,15R)-15-(4-hydroxybutyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one;(8R,9S,13S,14S)-3-methoxy-13-methyl-7,8,9,11,12,14-hexahydro-6H-cyclopenta[a]phenanthren-17-one;(8R,9S,13S,14S,15R)-3-methoxy-13-methyl-15-[4-(oxan-2-yloxy)butyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one;4-[(8R,9S,13S,14S,15R)-3-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]butanoic acid;oxolane;dibromide
• PubChem CID: 160868882
• Molecular Formula: C128H192Br4Mg2O21
• Molecular Weight: 2435.15 g/mol
• Exact Mass: 2429.04
• IUPAC Name: dimagnesium;4-bromobutan-1-ol;2-(4-bromobutoxy)oxane;bis(2-butoxyoxane);(8R,9S,13S,14S,15R)-15-(4-hydroxybutyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one;(8R,9S,13S,14S)-3-methoxy-13-methyl-7,8,9,11,12,14-hexahydro-6H-cyclopenta[a]phenanthren-17-one;(8R,9S,13S,14S,15R)-3-methoxy-13-methyl-15-[4-(oxan-2-yloxy)butyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one;4-[(8R,9S,13S,14S,15R)-3-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]butanoic acid;oxolane;dibromide
• SMILES: BrCCCCOC1CCCCO1.C1CCOC1.COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)C=C[C@@H]12.COc1ccc2c(c1)CC[C@H]1[C@@H]3[C@H](CCCC(=O)O)CC(=O)[C@@]3(C)CC[C@H]21.COc1ccc2c(c1)CC[C@H]1[C@@H]3[C@H](CCCCO)CC(=O)[C@@]3(C)CC[C@H]21.COc1ccc2c(c1)CC[C@H]1[C@@H]3[C@H](CCCCOC4CCCCO4)CC(=O)[C@@]3(C)CC[C@H]21.OCCCCBr.[Br-].[Br-].[CH2-]CCCOC1CCCCO1.[CH2-]CCCOC1CCCCO1.[Mg+2].[Mg+2]
• InChI: InChI=1S/C28H40O4.C23H30O4.C23H32O3.C19H22O2.C9H17BrO2.2C9H17O2.C4H9BrO.C4H8O.2BrH.2Mg/c1-28-14-13-23-22-12-10-21(30-2)17-19(22)9-11-24(23)27(28)20(18-25(28)29)7-3-5-15-31-26-8-4-6-16-32-26;1-23-11-10-18-17-9-7-16(27-2)12-14(17)6-8-19(18)22(23)15(13-20(23)24)4-3-5-21(25)26;1-23-11-10-19-18-9-7-17(26-2)13-15(18)6-8-20(19)22(23)16(14-21(23)25)5-3-4-12-24;1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20;10-6-2-4-8-12-9-5-1-3-7-11-9;2*1-2-3-7-10-9-6-4-5-8-11-9;5-3-1-2-4-6;1-2-4-5-3-1;;;;/h10,12,17,20,23-24,26-27H,3-9,11,13-16,18H2,1-2H3;7,9,12,15,18-19,22H,3-6,8,10-11,13H2,1-2H3,(H,25,26);7,9,13,16,19-20,22,24H,3-6,8,10-12,14H2,1-2H3;4,6-8,11,15-17H,3,5,9-10H2,1-2H3;9H,1-8H2;2*9H,1-8H2;6H,1-4H2;1-4H2;2*1H;;/q;;;;;2*-1;;;;;2*+2/p-2/t20-,23-,24-,26?,27+,28-;15-,18-,19-,22+,23-;16-,19-,20-,22+,23-;15-,16-,17+,19+;;;;;;;;;/m1111........./s1
• InChIKey: MTQNXKWJPPXCLX-DNQRPMAZSA-L
• XLogP: 21.26
• TPSA: 266.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 34
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2435.15
LogP ≤ 5	21.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dimagnesium;4-bromobutan-1-ol;2-(4-bromobutoxy)oxane;bis(2-butoxyoxane);(8R,9S,13S,14S,15R)-15-(4-hydroxybutyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one;(8R,9S,13S,14S)-3-methoxy-13-methyl-7,8,9,11,12,14-hexahydro-6H-cyclopenta[a]phenanthren-17-one;(8R,9S,13S,14S,15R)-3-methoxy-13-methyl-15-[4-(oxan-2-yloxy)butyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one;4-[(8R,9S,13S,14S,15R)-3-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]butanoic acid;oxolane;dibromide?

The IUPAC name of dimagnesium;4-bromobutan-1-ol;2-(4-bromobutoxy)oxane;bis(2-butoxyoxane);(8R,9S,13S,14S,15R)-15-(4-hydroxybutyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one;(8R,9S,13S,14S)-3-methoxy-13-methyl-7,8,9,11,12,14-hexahydro-6H-cyclopenta[a]phenanthren-17-one;(8R,9S,13S,14S,15R)-3-methoxy-13-methyl-15-[4-(oxan-2-yloxy)butyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one;4-[(8R,9S,13S,14S,15R)-3-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]butanoic acid;oxolane;dibromide (CID 160868882) is dimagnesium;4-bromobutan-1-ol;2-(4-bromobutoxy)oxane;bis(2-butoxyoxane);(8R,9S,13S,14S,15R)-15-(4-hydroxybutyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one;(8R,9S,13S,14S)-3-methoxy-13-methyl-7,8,9,11,12,14-hexahydro-6H-cyclopenta[a]phenanthren-17-one;(8R,9S,13S,14S,15R)-3-methoxy-13-methyl-15-[4-(oxan-2-yloxy)butyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one;4-[(8R,9S,13S,14S,15R)-3-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]butanoic acid;oxolane;dibromide.

What is the SMILES notation for dimagnesium;4-bromobutan-1-ol;2-(4-bromobutoxy)oxane;bis(2-butoxyoxane);(8R,9S,13S,14S,15R)-15-(4-hydroxybutyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one;(8R,9S,13S,14S)-3-methoxy-13-methyl-7,8,9,11,12,14-hexahydro-6H-cyclopenta[a]phenanthren-17-one;(8R,9S,13S,14S,15R)-3-methoxy-13-methyl-15-[4-(oxan-2-yloxy)butyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one;4-[(8R,9S,13S,14S,15R)-3-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]butanoic acid;oxolane;dibromide?

The canonical SMILES for dimagnesium;4-bromobutan-1-ol;2-(4-bromobutoxy)oxane;bis(2-butoxyoxane);(8R,9S,13S,14S,15R)-15-(4-hydroxybutyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one;(8R,9S,13S,14S)-3-methoxy-13-methyl-7,8,9,11,12,14-hexahydro-6H-cyclopenta[a]phenanthren-17-one;(8R,9S,13S,14S,15R)-3-methoxy-13-methyl-15-[4-(oxan-2-yloxy)butyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one;4-[(8R,9S,13S,14S,15R)-3-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]butanoic acid;oxolane;dibromide is BrCCCCOC1CCCCO1.C1CCOC1.COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)C=C[C@@H]12.COc1ccc2c(c1)CC[C@H]1[C@@H]3[C@H](CCCC(=O)O)CC(=O)[C@@]3(C)CC[C@H]21.COc1ccc2c(c1)CC[C@H]1[C@@H]3[C@H](CCCCO)CC(=O)[C@@]3(C)CC[C@H]21.COc1ccc2c(c1)CC[C@H]1[C@@H]3[C@H](CCCCOC4CCCCO4)CC(=O)[C@@]3(C)CC[C@H]21.OCCCCBr.[Br-].[Br-].[CH2-]CCCOC1CCCCO1.[CH2-]CCCOC1CCCCO1.[Mg+2].[Mg+2].

What is the InChIKey of dimagnesium;4-bromobutan-1-ol;2-(4-bromobutoxy)oxane;bis(2-butoxyoxane);(8R,9S,13S,14S,15R)-15-(4-hydroxybutyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one;(8R,9S,13S,14S)-3-methoxy-13-methyl-7,8,9,11,12,14-hexahydro-6H-cyclopenta[a]phenanthren-17-one;(8R,9S,13S,14S,15R)-3-methoxy-13-methyl-15-[4-(oxan-2-yloxy)butyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one;4-[(8R,9S,13S,14S,15R)-3-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]butanoic acid;oxolane;dibromide?

The InChIKey is MTQNXKWJPPXCLX-DNQRPMAZSA-L. The full InChI is InChI=1S/C28H40O4.C23H30O4.C23H32O3.C19H22O2.C9H17BrO2.2C9H17O2.C4H9BrO.C4H8O.2BrH.2Mg/c1-28-14-13-23-22-12-10-21(30-2)17-19(22)9-11-24(23)27(28)20(18-25(28)29)7-3-5-15-31-26-8-4-6-16-32-26;1-23-11-10-18-17-9-7-16(27-2)12-14(17)6-8-19(18)22(23)15(13-20(23)24)4-3-5-21(25)26;1-23-11-10-19-18-9-7-17(26-2)13-15(18)6-8-20(19)22(23)16(14-21(23)25)5-3-4-12-24;1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20;10-6-2-4-8-12-9-5-1-3-7-11-9;2*1-2-3-7-10-9-6-4-5-8-11-9;5-3-1-2-4-6;1-2-4-5-3-1;;;;/h10,12,17,20,23-24,26-27H,3-9,11,13-16,18H2,1-2H3;7,9,12,15,18-19,22H,3-6,8,10-11,13H2,1-2H3,(H,25,26);7,9,13,16,19-20,22,24H,3-6,8,10-12,14H2,1-2H3;4,6-8,11,15-17H,3,5,9-10H2,1-2H3;9H,1-8H2;2*9H,1-8H2;6H,1-4H2;1-4H2;2*1H;;/q;;;;;2*-1;;;;;2*+2/p-2/t20-,23-,24-,26?,27+,28-;15-,18-,19-,22+,23-;16-,19-,20-,22+,23-;15-,16-,17+,19+;;;;;;;;;/m1111........./s1.

What are the key properties of dimagnesium;4-bromobutan-1-ol;2-(4-bromobutoxy)oxane;bis(2-butoxyoxane);(8R,9S,13S,14S,15R)-15-(4-hydroxybutyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one;(8R,9S,13S,14S)-3-methoxy-13-methyl-7,8,9,11,12,14-hexahydro-6H-cyclopenta[a]phenanthren-17-one;(8R,9S,13S,14S,15R)-3-methoxy-13-methyl-15-[4-(oxan-2-yloxy)butyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one;4-[(8R,9S,13S,14S,15R)-3-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]butanoic acid;oxolane;dibromide?

dimagnesium;4-bromobutan-1-ol;2-(4-bromobutoxy)oxane;bis(2-butoxyoxane);(8R,9S,13S,14S,15R)-15-(4-hydroxybutyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one;(8R,9S,13S,14S)-3-methoxy-13-methyl-7,8,9,11,12,14-hexahydro-6H-cyclopenta[a]phenanthren-17-one;(8R,9S,13S,14S,15R)-3-methoxy-13-methyl-15-[4-(oxan-2-yloxy)butyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one;4-[(8R,9S,13S,14S,15R)-3-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]butanoic acid;oxolane;dibromide has a molecular weight of 2435.15 g/mol, XLogP of 21.26, 34 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for dimagnesium;4-bromobutan-1-ol;2-(4-bromobutoxy)oxane;bis(2-butoxyoxane);(8R,9S,13S,14S,15R)-15-(4-hydroxybutyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one;(8R,9S,13S,14S)-3-methoxy-13-methyl-7,8,9,11,12,14-hexahydro-6H-cyclopenta[a]phenanthren-17-one;(8R,9S,13S,14S,15R)-3-methoxy-13-methyl-15-[4-(oxan-2-yloxy)butyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one;4-[(8R,9S,13S,14S,15R)-3-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]butanoic acid;oxolane;dibromide is sourced from PubChem (CID 160868882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).