dichloromethane;methyl 2-[5-[4-[3-[4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-3-pyridinyl]acetate;methyl 2-[5-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-3-pyridinyl]acetate

C75H106Cl2N2O6Si — CID 159980957

About dichloromethane;methyl 2-[5-[4-[3-[4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-3-pyridinyl]acetate;methyl 2-[5-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-3-pyridinyl]acetate

dichloromethane;methyl 2-[5-[4-[3-[4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-3-pyridinyl]acetate;methyl 2-[5-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-3-pyridinyl]acetate (PubChem CID 159980957) has the molecular formula C75H106Cl2N2O6Si and a molecular weight of 1230.67 g/mol. Its IUPAC name is dichloromethane;methyl 2-[5-[4-[3-[4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-3-pyridinyl]acetate;methyl 2-[5-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-3-pyridinyl]acetate.

Molecular Properties

• Compound Name: dichloromethane;methyl 2-[5-[4-[3-[4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-3-pyridinyl]acetate;methyl 2-[5-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-3-pyridinyl]acetate
• PubChem CID: 159980957
• Molecular Formula: C75H106Cl2N2O6Si
• Molecular Weight: 1230.67 g/mol
• Exact Mass: 1228.72
• IUPAC Name: dichloromethane;methyl 2-[5-[4-[3-[4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-3-pyridinyl]acetate;methyl 2-[5-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-3-pyridinyl]acetate
• SMILES: CCC(CC)(c1ccc(CCC(O)C(C)(C)C)c(C)c1)c1ccc(-c2cncc(CC(=O)OC)c2)c(C)c1.CCC(CC)(c1ccc(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C)c(C)c1)c1ccc(-c2cncc(CC(=O)OC)c2)c(C)c1.ClCCl
• InChI: InChI=1S/C40H59NO3Si.C34H45NO3.CH2Cl2/c1-14-40(15-2,34-19-20-35(29(4)23-34)32-24-30(26-41-27-32)25-37(42)43-11)33-18-16-31(28(3)22-33)17-21-36(38(5,6)7)44-45(12,13)39(8,9)10;1-9-34(10-2,28-13-11-26(23(3)17-28)12-16-31(36)33(5,6)7)29-14-15-30(24(4)18-29)27-19-25(21-35-22-27)20-32(37)38-8;2-1-3/h16,18-20,22-24,26-27,36H,14-15,17,21,25H2,1-13H3;11,13-15,17-19,21-22,31,36H,9-10,12,16,20H2,1-8H3;1H2
• InChIKey: OFTMKFGSBXGRGH-UHFFFAOYSA-N
• XLogP: 19.50
• TPSA: 107.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 22
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1230.67
LogP ≤ 5	19.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dichloromethane;methyl 2-[5-[4-[3-[4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-3-pyridinyl]acetate;methyl 2-[5-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-3-pyridinyl]acetate?

The IUPAC name of dichloromethane;methyl 2-[5-[4-[3-[4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-3-pyridinyl]acetate;methyl 2-[5-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-3-pyridinyl]acetate (CID 159980957) is dichloromethane;methyl 2-[5-[4-[3-[4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-3-pyridinyl]acetate;methyl 2-[5-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-3-pyridinyl]acetate.

What is the SMILES notation for dichloromethane;methyl 2-[5-[4-[3-[4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-3-pyridinyl]acetate;methyl 2-[5-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-3-pyridinyl]acetate?

The canonical SMILES for dichloromethane;methyl 2-[5-[4-[3-[4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-3-pyridinyl]acetate;methyl 2-[5-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-3-pyridinyl]acetate is CCC(CC)(c1ccc(CCC(O)C(C)(C)C)c(C)c1)c1ccc(-c2cncc(CC(=O)OC)c2)c(C)c1.CCC(CC)(c1ccc(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C)c(C)c1)c1ccc(-c2cncc(CC(=O)OC)c2)c(C)c1.ClCCl.

What is the InChIKey of dichloromethane;methyl 2-[5-[4-[3-[4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-3-pyridinyl]acetate;methyl 2-[5-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-3-pyridinyl]acetate?

The InChIKey is OFTMKFGSBXGRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H59NO3Si.C34H45NO3.CH2Cl2/c1-14-40(15-2,34-19-20-35(29(4)23-34)32-24-30(26-41-27-32)25-37(42)43-11)33-18-16-31(28(3)22-33)17-21-36(38(5,6)7)44-45(12,13)39(8,9)10;1-9-34(10-2,28-13-11-26(23(3)17-28)12-16-31(36)33(5,6)7)29-14-15-30(24(4)18-29)27-19-25(21-35-22-27)20-32(37)38-8;2-1-3/h16,18-20,22-24,26-27,36H,14-15,17,21,25H2,1-13H3;11,13-15,17-19,21-22,31,36H,9-10,12,16,20H2,1-8H3;1H2.

What are the key properties of dichloromethane;methyl 2-[5-[4-[3-[4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-3-pyridinyl]acetate;methyl 2-[5-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-3-pyridinyl]acetate?

dichloromethane;methyl 2-[5-[4-[3-[4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-3-pyridinyl]acetate;methyl 2-[5-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-3-pyridinyl]acetate has a molecular weight of 1230.67 g/mol, XLogP of 19.50, 22 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for dichloromethane;methyl 2-[5-[4-[3-[4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-3-pyridinyl]acetate;methyl 2-[5-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-3-pyridinyl]acetate is sourced from PubChem (CID 159980957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).