(1R,7aR)-7a-methyl-1-[(6R)-1,1,1-trifluoro-2,10-dihydroxy-6,10-dimethyl-2-(trifluoromethyl)undec-3-yn-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;(1R,7aR)-7a-methyl-1-[(6R)-1,1,1-trifluoro-6,10-dimethyl-2-(trifluoromethyl)-2,10-bis(trimethylsilyloxy)undec-3-yn-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;dichloromethane;methane

C56H90Cl2F12O6Si2 — CID 161143968

About (1R,7aR)-7a-methyl-1-[(6R)-1,1,1-trifluoro-2,10-dihydroxy-6,10-dimethyl-2-(trifluoromethyl)undec-3-yn-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;(1R,7aR)-7a-methyl-1-[(6R)-1,1,1-trifluoro-6,10-dimethyl-2-(trifluoromethyl)-2,10-bis(trimethylsilyloxy)undec-3-yn-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;dichloromethane;methane

(1R,7aR)-7a-methyl-1-[(6R)-1,1,1-trifluoro-2,10-dihydroxy-6,10-dimethyl-2-(trifluoromethyl)undec-3-yn-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;(1R,7aR)-7a-methyl-1-[(6R)-1,1,1-trifluoro-6,10-dimethyl-2-(trifluoromethyl)-2,10-bis(trimethylsilyloxy)undec-3-yn-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;dichloromethane;methane (PubChem CID 161143968) has the molecular formula C56H90Cl2F12O6Si2 and a molecular weight of 1214.38 g/mol. Its IUPAC name is (1R,7aR)-7a-methyl-1-[(6R)-1,1,1-trifluoro-2,10-dihydroxy-6,10-dimethyl-2-(trifluoromethyl)undec-3-yn-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;(1R,7aR)-7a-methyl-1-[(6R)-1,1,1-trifluoro-6,10-dimethyl-2-(trifluoromethyl)-2,10-bis(trimethylsilyloxy)undec-3-yn-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;dichloromethane;methane.

Molecular Properties

• Compound Name: (1R,7aR)-7a-methyl-1-[(6R)-1,1,1-trifluoro-2,10-dihydroxy-6,10-dimethyl-2-(trifluoromethyl)undec-3-yn-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;(1R,7aR)-7a-methyl-1-[(6R)-1,1,1-trifluoro-6,10-dimethyl-2-(trifluoromethyl)-2,10-bis(trimethylsilyloxy)undec-3-yn-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;dichloromethane;methane
• PubChem CID: 161143968
• Molecular Formula: C56H90Cl2F12O6Si2
• Molecular Weight: 1214.38 g/mol
• Exact Mass: 1212.55
• IUPAC Name: (1R,7aR)-7a-methyl-1-[(6R)-1,1,1-trifluoro-2,10-dihydroxy-6,10-dimethyl-2-(trifluoromethyl)undec-3-yn-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;(1R,7aR)-7a-methyl-1-[(6R)-1,1,1-trifluoro-6,10-dimethyl-2-(trifluoromethyl)-2,10-bis(trimethylsilyloxy)undec-3-yn-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;dichloromethane;methane
• SMILES: C.CC(C)(CCC[C@](C)(CC#CC(O[Si](C)(C)C)(C(F)(F)F)C(F)(F)F)[C@H]1CCC2C(=O)CCC[C@@]21C)O[Si](C)(C)C.CC(C)(O)CCC[C@](C)(CC#CC(O)(C(F)(F)F)C(F)(F)F)[C@H]1CCC2C(=O)CCC[C@@]21C.ClCCl
• InChI: InChI=1S/C30H50F6O3Si2.C24H34F6O3.CH2Cl2.CH4/c1-25(2,38-40(5,6)7)17-12-18-26(3,24-16-15-22-23(37)14-11-20-27(22,24)4)19-13-21-28(29(31,32)33,30(34,35)36)39-41(8,9)10;1-19(2,32)11-6-12-20(3,13-7-15-22(33,23(25,26)27)24(28,29)30)18-10-9-16-17(31)8-5-14-21(16,18)4;2-1-3;/h22,24H,11-12,14-20H2,1-10H3;16,18,32-33H,5-6,8-14H2,1-4H3;1H2;1H4/t22?,24-,26-,27+;16?,18-,20-,21+;;/m11../s1
• InChIKey: UNUORZGZDZYPGW-XYBYAFHJSA-N
• XLogP: 17.71
• TPSA: 93.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 16
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1214.38
LogP ≤ 5	17.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R,7aR)-7a-methyl-1-[(6R)-1,1,1-trifluoro-2,10-dihydroxy-6,10-dimethyl-2-(trifluoromethyl)undec-3-yn-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;(1R,7aR)-7a-methyl-1-[(6R)-1,1,1-trifluoro-6,10-dimethyl-2-(trifluoromethyl)-2,10-bis(trimethylsilyloxy)undec-3-yn-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;dichloromethane;methane?

The IUPAC name of (1R,7aR)-7a-methyl-1-[(6R)-1,1,1-trifluoro-2,10-dihydroxy-6,10-dimethyl-2-(trifluoromethyl)undec-3-yn-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;(1R,7aR)-7a-methyl-1-[(6R)-1,1,1-trifluoro-6,10-dimethyl-2-(trifluoromethyl)-2,10-bis(trimethylsilyloxy)undec-3-yn-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;dichloromethane;methane (CID 161143968) is (1R,7aR)-7a-methyl-1-[(6R)-1,1,1-trifluoro-2,10-dihydroxy-6,10-dimethyl-2-(trifluoromethyl)undec-3-yn-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;(1R,7aR)-7a-methyl-1-[(6R)-1,1,1-trifluoro-6,10-dimethyl-2-(trifluoromethyl)-2,10-bis(trimethylsilyloxy)undec-3-yn-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;dichloromethane;methane.

What is the SMILES notation for (1R,7aR)-7a-methyl-1-[(6R)-1,1,1-trifluoro-2,10-dihydroxy-6,10-dimethyl-2-(trifluoromethyl)undec-3-yn-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;(1R,7aR)-7a-methyl-1-[(6R)-1,1,1-trifluoro-6,10-dimethyl-2-(trifluoromethyl)-2,10-bis(trimethylsilyloxy)undec-3-yn-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;dichloromethane;methane?

The canonical SMILES for (1R,7aR)-7a-methyl-1-[(6R)-1,1,1-trifluoro-2,10-dihydroxy-6,10-dimethyl-2-(trifluoromethyl)undec-3-yn-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;(1R,7aR)-7a-methyl-1-[(6R)-1,1,1-trifluoro-6,10-dimethyl-2-(trifluoromethyl)-2,10-bis(trimethylsilyloxy)undec-3-yn-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;dichloromethane;methane is C.CC(C)(CCC[C@](C)(CC#CC(O[Si](C)(C)C)(C(F)(F)F)C(F)(F)F)[C@H]1CCC2C(=O)CCC[C@@]21C)O[Si](C)(C)C.CC(C)(O)CCC[C@](C)(CC#CC(O)(C(F)(F)F)C(F)(F)F)[C@H]1CCC2C(=O)CCC[C@@]21C.ClCCl.

What is the InChIKey of (1R,7aR)-7a-methyl-1-[(6R)-1,1,1-trifluoro-2,10-dihydroxy-6,10-dimethyl-2-(trifluoromethyl)undec-3-yn-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;(1R,7aR)-7a-methyl-1-[(6R)-1,1,1-trifluoro-6,10-dimethyl-2-(trifluoromethyl)-2,10-bis(trimethylsilyloxy)undec-3-yn-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;dichloromethane;methane?

The InChIKey is UNUORZGZDZYPGW-XYBYAFHJSA-N. The full InChI is InChI=1S/C30H50F6O3Si2.C24H34F6O3.CH2Cl2.CH4/c1-25(2,38-40(5,6)7)17-12-18-26(3,24-16-15-22-23(37)14-11-20-27(22,24)4)19-13-21-28(29(31,32)33,30(34,35)36)39-41(8,9)10;1-19(2,32)11-6-12-20(3,13-7-15-22(33,23(25,26)27)24(28,29)30)18-10-9-16-17(31)8-5-14-21(16,18)4;2-1-3;/h22,24H,11-12,14-20H2,1-10H3;16,18,32-33H,5-6,8-14H2,1-4H3;1H2;1H4/t22?,24-,26-,27+;16?,18-,20-,21+;;/m11../s1.

What are the key properties of (1R,7aR)-7a-methyl-1-[(6R)-1,1,1-trifluoro-2,10-dihydroxy-6,10-dimethyl-2-(trifluoromethyl)undec-3-yn-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;(1R,7aR)-7a-methyl-1-[(6R)-1,1,1-trifluoro-6,10-dimethyl-2-(trifluoromethyl)-2,10-bis(trimethylsilyloxy)undec-3-yn-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;dichloromethane;methane?

(1R,7aR)-7a-methyl-1-[(6R)-1,1,1-trifluoro-2,10-dihydroxy-6,10-dimethyl-2-(trifluoromethyl)undec-3-yn-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;(1R,7aR)-7a-methyl-1-[(6R)-1,1,1-trifluoro-6,10-dimethyl-2-(trifluoromethyl)-2,10-bis(trimethylsilyloxy)undec-3-yn-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;dichloromethane;methane has a molecular weight of 1214.38 g/mol, XLogP of 17.71, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,7aR)-7a-methyl-1-[(6R)-1,1,1-trifluoro-2,10-dihydroxy-6,10-dimethyl-2-(trifluoromethyl)undec-3-yn-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;(1R,7aR)-7a-methyl-1-[(6R)-1,1,1-trifluoro-6,10-dimethyl-2-(trifluoromethyl)-2,10-bis(trimethylsilyloxy)undec-3-yn-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;dichloromethane;methane is sourced from PubChem (CID 161143968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).