lithium;alumane;benzyl acetate;benzyl 2-(3-oxocyclopentyl)acetate;cyclopent-2-en-1-one;bis(dichloromethane);dimethylphosphane;hydride;2-(3-hydroxycyclopentyl)ethyl 4-methylbenzenesulfonate;3-(2-hydroxyethyl)cyclopentan-1-ol;4-methylbenzenesulfonyl chloride;4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;3-[2-[4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]cyclopentan-1-ol;oxolane;prop-1-en-2-yloxymethylbenzene;trimethylsilyl trifluoromethanesulfonate

C131H173AlCl5F3LiO22PS3Si — CID 159701346

About lithium;alumane;benzyl acetate;benzyl 2-(3-oxocyclopentyl)acetate;cyclopent-2-en-1-one;bis(dichloromethane);dimethylphosphane;hydride;2-(3-hydroxycyclopentyl)ethyl 4-methylbenzenesulfonate;3-(2-hydroxyethyl)cyclopentan-1-ol;4-methylbenzenesulfonyl chloride;4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;3-[2-[4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]cyclopentan-1-ol;oxolane;prop-1-en-2-yloxymethylbenzene;trimethylsilyl trifluoromethanesulfonate

lithium;alumane;benzyl acetate;benzyl 2-(3-oxocyclopentyl)acetate;cyclopent-2-en-1-one;bis(dichloromethane);dimethylphosphane;hydride;2-(3-hydroxycyclopentyl)ethyl 4-methylbenzenesulfonate;3-(2-hydroxyethyl)cyclopentan-1-ol;4-methylbenzenesulfonyl chloride;4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;3-[2-[4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]cyclopentan-1-ol;oxolane;prop-1-en-2-yloxymethylbenzene;trimethylsilyl trifluoromethanesulfonate (PubChem CID 159701346) has the molecular formula C131H173AlCl5F3LiO22PS3Si and a molecular weight of 2523.25 g/mol. Its IUPAC name is lithium;alumane;benzyl acetate;benzyl 2-(3-oxocyclopentyl)acetate;cyclopent-2-en-1-one;bis(dichloromethane);dimethylphosphane;hydride;2-(3-hydroxycyclopentyl)ethyl 4-methylbenzenesulfonate;3-(2-hydroxyethyl)cyclopentan-1-ol;4-methylbenzenesulfonyl chloride;4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;3-[2-[4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]cyclopentan-1-ol;oxolane;prop-1-en-2-yloxymethylbenzene;trimethylsilyl trifluoromethanesulfonate.

Molecular Properties

• Compound Name: lithium;alumane;benzyl acetate;benzyl 2-(3-oxocyclopentyl)acetate;cyclopent-2-en-1-one;bis(dichloromethane);dimethylphosphane;hydride;2-(3-hydroxycyclopentyl)ethyl 4-methylbenzenesulfonate;3-(2-hydroxyethyl)cyclopentan-1-ol;4-methylbenzenesulfonyl chloride;4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;3-[2-[4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]cyclopentan-1-ol;oxolane;prop-1-en-2-yloxymethylbenzene;trimethylsilyl trifluoromethanesulfonate
• PubChem CID: 159701346
• Molecular Formula: C131H173AlCl5F3LiO22PS3Si
• Molecular Weight: 2523.25 g/mol
• Exact Mass: 2518.95
• IUPAC Name: lithium;alumane;benzyl acetate;benzyl 2-(3-oxocyclopentyl)acetate;cyclopent-2-en-1-one;bis(dichloromethane);dimethylphosphane;hydride;2-(3-hydroxycyclopentyl)ethyl 4-methylbenzenesulfonate;3-(2-hydroxyethyl)cyclopentan-1-ol;4-methylbenzenesulfonyl chloride;4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;3-[2-[4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]cyclopentan-1-ol;oxolane;prop-1-en-2-yloxymethylbenzene;trimethylsilyl trifluoromethanesulfonate
• SMILES: C1CCOC1.C=C(C)OCc1ccccc1.CC(=O)OCc1ccccc1.CPC.C[Si](C)(C)OS(=O)(=O)C(F)(F)F.Cc1ccc(S(=O)(=O)Cl)cc1.Cc1ccc(S(=O)(=O)OCCC2CCC(O)C2)cc1.Cc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(O)cc1.Cc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCC2CCC(O)C2)cc1.ClCCl.ClCCl.O=C1C=CCC1.O=C1CCC(CC(=O)OCc2ccccc2)C1.OCCC1CCC(O)C1.[AlH3].[H-].[Li+]
• InChI: InChI=1S/C30H34O2.C23H22O.C14H20O4S.C14H16O3.C10H12O.C9H10O2.C7H7ClO2S.C7H14O2.C5H6O.C4H9F3O3SSi.C4H8O.C2H7P.2CH2Cl2.Al.Li.4H/c1-21-7-15-29-25(19-21)11-16-28(23-5-3-2-4-6-23)30(29)24-9-13-27(14-10-24)32-18-17-22-8-12-26(31)20-22;1-16-7-13-22-19(15-16)10-14-21(17-5-3-2-4-6-17)23(22)18-8-11-20(24)12-9-18;1-11-2-6-14(7-3-11)19(16,17)18-9-8-12-4-5-13(15)10-12;15-13-7-6-12(8-13)9-14(16)17-10-11-4-2-1-3-5-11;1-9(2)11-8-10-6-4-3-5-7-10;1-8(10)11-7-9-5-3-2-4-6-9;1-6-2-4-7(5-3-6)11(8,9)10;8-4-3-6-1-2-7(9)5-6;6-5-3-1-2-4-5;1-12(2,3)10-11(8,9)4(5,6)7;1-2-4-5-3-1;1-3-2;2*2-1-3;;;;;;/h2-7,9-10,13-15,19,22,26,28,30-31H,8,11-12,16-18,20H2,1H3;2-9,11-13,15,21,23-24H,10,14H2,1H3;2-3,6-7,12-13,15H,4-5,8-10H2,1H3;1-5,12H,6-10H2;3-7H,1,8H2,2H3;2-6H,7H2,1H3;2-5H,1H3;6-9H,1-5H2;1,3H,2,4H2;1-3H3;1-4H2;3H,1-2H3;2*1H2;;;;;;/q;;;;;;;;;;;;;;;+1;;;;-1/t22?,26?,28-,30+;21-,23+;;;;;;;;;;;;;;;;;;/m11................../s1
• InChIKey: SLKHABFOPIIXSD-BWHAWIKCSA-N
• XLogP: 27.12
• TPSA: 336.46 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 27
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2523.25
LogP ≤ 5	27.12
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;alumane;benzyl acetate;benzyl 2-(3-oxocyclopentyl)acetate;cyclopent-2-en-1-one;bis(dichloromethane);dimethylphosphane;hydride;2-(3-hydroxycyclopentyl)ethyl 4-methylbenzenesulfonate;3-(2-hydroxyethyl)cyclopentan-1-ol;4-methylbenzenesulfonyl chloride;4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;3-[2-[4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]cyclopentan-1-ol;oxolane;prop-1-en-2-yloxymethylbenzene;trimethylsilyl trifluoromethanesulfonate?

The IUPAC name of lithium;alumane;benzyl acetate;benzyl 2-(3-oxocyclopentyl)acetate;cyclopent-2-en-1-one;bis(dichloromethane);dimethylphosphane;hydride;2-(3-hydroxycyclopentyl)ethyl 4-methylbenzenesulfonate;3-(2-hydroxyethyl)cyclopentan-1-ol;4-methylbenzenesulfonyl chloride;4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;3-[2-[4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]cyclopentan-1-ol;oxolane;prop-1-en-2-yloxymethylbenzene;trimethylsilyl trifluoromethanesulfonate (CID 159701346) is lithium;alumane;benzyl acetate;benzyl 2-(3-oxocyclopentyl)acetate;cyclopent-2-en-1-one;bis(dichloromethane);dimethylphosphane;hydride;2-(3-hydroxycyclopentyl)ethyl 4-methylbenzenesulfonate;3-(2-hydroxyethyl)cyclopentan-1-ol;4-methylbenzenesulfonyl chloride;4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;3-[2-[4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]cyclopentan-1-ol;oxolane;prop-1-en-2-yloxymethylbenzene;trimethylsilyl trifluoromethanesulfonate.

What is the SMILES notation for lithium;alumane;benzyl acetate;benzyl 2-(3-oxocyclopentyl)acetate;cyclopent-2-en-1-one;bis(dichloromethane);dimethylphosphane;hydride;2-(3-hydroxycyclopentyl)ethyl 4-methylbenzenesulfonate;3-(2-hydroxyethyl)cyclopentan-1-ol;4-methylbenzenesulfonyl chloride;4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;3-[2-[4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]cyclopentan-1-ol;oxolane;prop-1-en-2-yloxymethylbenzene;trimethylsilyl trifluoromethanesulfonate?

The canonical SMILES for lithium;alumane;benzyl acetate;benzyl 2-(3-oxocyclopentyl)acetate;cyclopent-2-en-1-one;bis(dichloromethane);dimethylphosphane;hydride;2-(3-hydroxycyclopentyl)ethyl 4-methylbenzenesulfonate;3-(2-hydroxyethyl)cyclopentan-1-ol;4-methylbenzenesulfonyl chloride;4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;3-[2-[4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]cyclopentan-1-ol;oxolane;prop-1-en-2-yloxymethylbenzene;trimethylsilyl trifluoromethanesulfonate is C1CCOC1.C=C(C)OCc1ccccc1.CC(=O)OCc1ccccc1.CPC.C[Si](C)(C)OS(=O)(=O)C(F)(F)F.Cc1ccc(S(=O)(=O)Cl)cc1.Cc1ccc(S(=O)(=O)OCCC2CCC(O)C2)cc1.Cc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(O)cc1.Cc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCC2CCC(O)C2)cc1.ClCCl.ClCCl.O=C1C=CCC1.O=C1CCC(CC(=O)OCc2ccccc2)C1.OCCC1CCC(O)C1.[AlH3].[H-].[Li+].

What is the InChIKey of lithium;alumane;benzyl acetate;benzyl 2-(3-oxocyclopentyl)acetate;cyclopent-2-en-1-one;bis(dichloromethane);dimethylphosphane;hydride;2-(3-hydroxycyclopentyl)ethyl 4-methylbenzenesulfonate;3-(2-hydroxyethyl)cyclopentan-1-ol;4-methylbenzenesulfonyl chloride;4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;3-[2-[4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]cyclopentan-1-ol;oxolane;prop-1-en-2-yloxymethylbenzene;trimethylsilyl trifluoromethanesulfonate?

The InChIKey is SLKHABFOPIIXSD-BWHAWIKCSA-N. The full InChI is InChI=1S/C30H34O2.C23H22O.C14H20O4S.C14H16O3.C10H12O.C9H10O2.C7H7ClO2S.C7H14O2.C5H6O.C4H9F3O3SSi.C4H8O.C2H7P.2CH2Cl2.Al.Li.4H/c1-21-7-15-29-25(19-21)11-16-28(23-5-3-2-4-6-23)30(29)24-9-13-27(14-10-24)32-18-17-22-8-12-26(31)20-22;1-16-7-13-22-19(15-16)10-14-21(17-5-3-2-4-6-17)23(22)18-8-11-20(24)12-9-18;1-11-2-6-14(7-3-11)19(16,17)18-9-8-12-4-5-13(15)10-12;15-13-7-6-12(8-13)9-14(16)17-10-11-4-2-1-3-5-11;1-9(2)11-8-10-6-4-3-5-7-10;1-8(10)11-7-9-5-3-2-4-6-9;1-6-2-4-7(5-3-6)11(8,9)10;8-4-3-6-1-2-7(9)5-6;6-5-3-1-2-4-5;1-12(2,3)10-11(8,9)4(5,6)7;1-2-4-5-3-1;1-3-2;2*2-1-3;;;;;;/h2-7,9-10,13-15,19,22,26,28,30-31H,8,11-12,16-18,20H2,1H3;2-9,11-13,15,21,23-24H,10,14H2,1H3;2-3,6-7,12-13,15H,4-5,8-10H2,1H3;1-5,12H,6-10H2;3-7H,1,8H2,2H3;2-6H,7H2,1H3;2-5H,1H3;6-9H,1-5H2;1,3H,2,4H2;1-3H3;1-4H2;3H,1-2H3;2*1H2;;;;;;/q;;;;;;;;;;;;;;;+1;;;;-1/t22?,26?,28-,30+;21-,23+;;;;;;;;;;;;;;;;;;/m11................../s1.

What are the key properties of lithium;alumane;benzyl acetate;benzyl 2-(3-oxocyclopentyl)acetate;cyclopent-2-en-1-one;bis(dichloromethane);dimethylphosphane;hydride;2-(3-hydroxycyclopentyl)ethyl 4-methylbenzenesulfonate;3-(2-hydroxyethyl)cyclopentan-1-ol;4-methylbenzenesulfonyl chloride;4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;3-[2-[4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]cyclopentan-1-ol;oxolane;prop-1-en-2-yloxymethylbenzene;trimethylsilyl trifluoromethanesulfonate?

lithium;alumane;benzyl acetate;benzyl 2-(3-oxocyclopentyl)acetate;cyclopent-2-en-1-one;bis(dichloromethane);dimethylphosphane;hydride;2-(3-hydroxycyclopentyl)ethyl 4-methylbenzenesulfonate;3-(2-hydroxyethyl)cyclopentan-1-ol;4-methylbenzenesulfonyl chloride;4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;3-[2-[4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]cyclopentan-1-ol;oxolane;prop-1-en-2-yloxymethylbenzene;trimethylsilyl trifluoromethanesulfonate has a molecular weight of 2523.25 g/mol, XLogP of 27.12, 27 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;alumane;benzyl acetate;benzyl 2-(3-oxocyclopentyl)acetate;cyclopent-2-en-1-one;bis(dichloromethane);dimethylphosphane;hydride;2-(3-hydroxycyclopentyl)ethyl 4-methylbenzenesulfonate;3-(2-hydroxyethyl)cyclopentan-1-ol;4-methylbenzenesulfonyl chloride;4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;3-[2-[4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]cyclopentan-1-ol;oxolane;prop-1-en-2-yloxymethylbenzene;trimethylsilyl trifluoromethanesulfonate is sourced from PubChem (CID 159701346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).