zinc;(3aS,6aS)-5-[(2S,4R)-4-[(3aS,6aS)-2,2-diethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-yl]hexan-2-yl]-2,2-diethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one;bis(butoxy-tert-butyl-dimethylsilane);(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]ethanol;(2R)-2-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one;(4R,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolane-4-carbaldehyde;methyl (2R,3R)-2,3-dihydroxy-3-phenylpropanoate;oxolan-2-ol

C102H166N2O25Si3Zn — CID 165004987

About zinc;(3aS,6aS)-5-[(2S,4R)-4-[(3aS,6aS)-2,2-diethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-yl]hexan-2-yl]-2,2-diethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one;bis(butoxy-tert-butyl-dimethylsilane);(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]ethanol;(2R)-2-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one;(4R,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolane-4-carbaldehyde;methyl (2R,3R)-2,3-dihydroxy-3-phenylpropanoate;oxolan-2-ol

zinc;(3aS,6aS)-5-[(2S,4R)-4-[(3aS,6aS)-2,2-diethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-yl]hexan-2-yl]-2,2-diethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one;bis(butoxy-tert-butyl-dimethylsilane);(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]ethanol;(2R)-2-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one;(4R,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolane-4-carbaldehyde;methyl (2R,3R)-2,3-dihydroxy-3-phenylpropanoate;oxolan-2-ol (PubChem CID 165004987) has the molecular formula C102H166N2O25Si3Zn and a molecular weight of 1970.09 g/mol. Its IUPAC name is zinc;(3aS,6aS)-5-[(2S,4R)-4-[(3aS,6aS)-2,2-diethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-yl]hexan-2-yl]-2,2-diethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one;bis(butoxy-tert-butyl-dimethylsilane);(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]ethanol;(2R)-2-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one;(4R,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolane-4-carbaldehyde;methyl (2R,3R)-2,3-dihydroxy-3-phenylpropanoate;oxolan-2-ol.

Molecular Properties

• Compound Name: zinc;(3aS,6aS)-5-[(2S,4R)-4-[(3aS,6aS)-2,2-diethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-yl]hexan-2-yl]-2,2-diethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one;bis(butoxy-tert-butyl-dimethylsilane);(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]ethanol;(2R)-2-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one;(4R,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolane-4-carbaldehyde;methyl (2R,3R)-2,3-dihydroxy-3-phenylpropanoate;oxolan-2-ol
• PubChem CID: 165004987
• Molecular Formula: C102H166N2O25Si3Zn
• Molecular Weight: 1970.09 g/mol
• Exact Mass: 1967.04
• IUPAC Name: zinc;(3aS,6aS)-5-[(2S,4R)-4-[(3aS,6aS)-2,2-diethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-yl]hexan-2-yl]-2,2-diethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one;bis(butoxy-tert-butyl-dimethylsilane);(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]ethanol;(2R)-2-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one;(4R,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolane-4-carbaldehyde;methyl (2R,3R)-2,3-dihydroxy-3-phenylpropanoate;oxolan-2-ol
• SMILES: CC1(C)O[C@@H](C=O)[C@@H](c2ccccc2)O1.CC1(C)O[C@@H]([C@H](O)CO[Si](C)(C)C(C)(C)C)[C@@H](c2ccccc2)O1.CCC(C[C@H](C)N1C[C@@H]2OC(CC)(CC)O[C@@H]2C1=O)N1C[C@@H]2OC(CC)(CC)O[C@@H]2C1=O.COC(=O)[C@H](O)[C@H](O)c1ccccc1.O=C1C=CC[C@H]([C@H](O)[C@H](O)c2ccccc2)O1.OC1CCCO1.[CH2-]CCCO[Si](C)(C)C(C)(C)C.[CH2-]CCCO[Si](C)(C)C(C)(C)C.[Zn+2]
• InChI: InChI=1S/C24H40N2O6.C19H32O4Si.C13H14O4.C12H14O3.C10H12O4.2C10H23OSi.C4H8O2.Zn/c1-7-16(26-14-18-20(22(26)28)32-24(10-4,11-5)30-18)12-15(6)25-13-17-19(21(25)27)31-23(8-2,9-3)29-17;1-18(2,3)24(6,7)21-13-15(20)17-16(22-19(4,5)23-17)14-11-9-8-10-12-14;14-11-8-4-7-10(17-11)13(16)12(15)9-5-2-1-3-6-9;1-12(2)14-10(8-13)11(15-12)9-6-4-3-5-7-9;1-14-10(13)9(12)8(11)7-5-3-2-4-6-7;2*1-7-8-9-11-12(5,6)10(2,3)4;5-4-2-1-3-6-4;/h15-20H,7-14H2,1-6H3;8-12,15-17,20H,13H2,1-7H3;1-6,8,10,12-13,15-16H,7H2;3-8,10-11H,1-2H3;2-6,8-9,11-12H,1H3;2*1,7-9H2,2-6H3;4-5H,1-3H2;/q;;;;;2*-1;;+2/t15-,16?,17-,18-,19-,20-;15-,16-,17+;10-,12-,13+;10-,11+;8-,9-;;;;/m01101..../s1
• InChIKey: IUZJAWVHBJFXRX-DJWAIQQPSA-N
• XLogP: 17.73
• TPSA: 342.43 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 30
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1970.09
LogP ≤ 5	17.73
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of zinc;(3aS,6aS)-5-[(2S,4R)-4-[(3aS,6aS)-2,2-diethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-yl]hexan-2-yl]-2,2-diethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one;bis(butoxy-tert-butyl-dimethylsilane);(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]ethanol;(2R)-2-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one;(4R,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolane-4-carbaldehyde;methyl (2R,3R)-2,3-dihydroxy-3-phenylpropanoate;oxolan-2-ol?

The IUPAC name of zinc;(3aS,6aS)-5-[(2S,4R)-4-[(3aS,6aS)-2,2-diethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-yl]hexan-2-yl]-2,2-diethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one;bis(butoxy-tert-butyl-dimethylsilane);(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]ethanol;(2R)-2-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one;(4R,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolane-4-carbaldehyde;methyl (2R,3R)-2,3-dihydroxy-3-phenylpropanoate;oxolan-2-ol (CID 165004987) is zinc;(3aS,6aS)-5-[(2S,4R)-4-[(3aS,6aS)-2,2-diethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-yl]hexan-2-yl]-2,2-diethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one;bis(butoxy-tert-butyl-dimethylsilane);(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]ethanol;(2R)-2-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one;(4R,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolane-4-carbaldehyde;methyl (2R,3R)-2,3-dihydroxy-3-phenylpropanoate;oxolan-2-ol.

What is the SMILES notation for zinc;(3aS,6aS)-5-[(2S,4R)-4-[(3aS,6aS)-2,2-diethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-yl]hexan-2-yl]-2,2-diethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one;bis(butoxy-tert-butyl-dimethylsilane);(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]ethanol;(2R)-2-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one;(4R,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolane-4-carbaldehyde;methyl (2R,3R)-2,3-dihydroxy-3-phenylpropanoate;oxolan-2-ol?

The canonical SMILES for zinc;(3aS,6aS)-5-[(2S,4R)-4-[(3aS,6aS)-2,2-diethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-yl]hexan-2-yl]-2,2-diethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one;bis(butoxy-tert-butyl-dimethylsilane);(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]ethanol;(2R)-2-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one;(4R,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolane-4-carbaldehyde;methyl (2R,3R)-2,3-dihydroxy-3-phenylpropanoate;oxolan-2-ol is CC1(C)O[C@@H](C=O)[C@@H](c2ccccc2)O1.CC1(C)O[C@@H]([C@H](O)CO[Si](C)(C)C(C)(C)C)[C@@H](c2ccccc2)O1.CCC(C[C@H](C)N1C[C@@H]2OC(CC)(CC)O[C@@H]2C1=O)N1C[C@@H]2OC(CC)(CC)O[C@@H]2C1=O.COC(=O)[C@H](O)[C@H](O)c1ccccc1.O=C1C=CC[C@H]([C@H](O)[C@H](O)c2ccccc2)O1.OC1CCCO1.[CH2-]CCCO[Si](C)(C)C(C)(C)C.[CH2-]CCCO[Si](C)(C)C(C)(C)C.[Zn+2].

What is the InChIKey of zinc;(3aS,6aS)-5-[(2S,4R)-4-[(3aS,6aS)-2,2-diethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-yl]hexan-2-yl]-2,2-diethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one;bis(butoxy-tert-butyl-dimethylsilane);(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]ethanol;(2R)-2-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one;(4R,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolane-4-carbaldehyde;methyl (2R,3R)-2,3-dihydroxy-3-phenylpropanoate;oxolan-2-ol?

The InChIKey is IUZJAWVHBJFXRX-DJWAIQQPSA-N. The full InChI is InChI=1S/C24H40N2O6.C19H32O4Si.C13H14O4.C12H14O3.C10H12O4.2C10H23OSi.C4H8O2.Zn/c1-7-16(26-14-18-20(22(26)28)32-24(10-4,11-5)30-18)12-15(6)25-13-17-19(21(25)27)31-23(8-2,9-3)29-17;1-18(2,3)24(6,7)21-13-15(20)17-16(22-19(4,5)23-17)14-11-9-8-10-12-14;14-11-8-4-7-10(17-11)13(16)12(15)9-5-2-1-3-6-9;1-12(2)14-10(8-13)11(15-12)9-6-4-3-5-7-9;1-14-10(13)9(12)8(11)7-5-3-2-4-6-7;2*1-7-8-9-11-12(5,6)10(2,3)4;5-4-2-1-3-6-4;/h15-20H,7-14H2,1-6H3;8-12,15-17,20H,13H2,1-7H3;1-6,8,10,12-13,15-16H,7H2;3-8,10-11H,1-2H3;2-6,8-9,11-12H,1H3;2*1,7-9H2,2-6H3;4-5H,1-3H2;/q;;;;;2*-1;;+2/t15-,16?,17-,18-,19-,20-;15-,16-,17+;10-,12-,13+;10-,11+;8-,9-;;;;/m01101..../s1.

What are the key properties of zinc;(3aS,6aS)-5-[(2S,4R)-4-[(3aS,6aS)-2,2-diethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-yl]hexan-2-yl]-2,2-diethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one;bis(butoxy-tert-butyl-dimethylsilane);(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]ethanol;(2R)-2-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one;(4R,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolane-4-carbaldehyde;methyl (2R,3R)-2,3-dihydroxy-3-phenylpropanoate;oxolan-2-ol?

zinc;(3aS,6aS)-5-[(2S,4R)-4-[(3aS,6aS)-2,2-diethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-yl]hexan-2-yl]-2,2-diethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one;bis(butoxy-tert-butyl-dimethylsilane);(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]ethanol;(2R)-2-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one;(4R,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolane-4-carbaldehyde;methyl (2R,3R)-2,3-dihydroxy-3-phenylpropanoate;oxolan-2-ol has a molecular weight of 1970.09 g/mol, XLogP of 17.73, 30 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for zinc;(3aS,6aS)-5-[(2S,4R)-4-[(3aS,6aS)-2,2-diethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-yl]hexan-2-yl]-2,2-diethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one;bis(butoxy-tert-butyl-dimethylsilane);(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]ethanol;(2R)-2-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one;(4R,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolane-4-carbaldehyde;methyl (2R,3R)-2,3-dihydroxy-3-phenylpropanoate;oxolan-2-ol is sourced from PubChem (CID 165004987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).