2-hydroxyethyl 2-methylbutanoate;2-methylbutanamide;2-methyl-N-(3-triethoxysilylpropyl)butanamide;2-methyl-N-(3-triethoxysilylpropyl)butane-2-sulfonamide;N-(3-trimethoxysilylpropyl)butane-2-sulfonamide

C50H114N4O18S2Si3 — CID 158669984

About 2-hydroxyethyl 2-methylbutanoate;2-methylbutanamide;2-methyl-N-(3-triethoxysilylpropyl)butanamide;2-methyl-N-(3-triethoxysilylpropyl)butane-2-sulfonamide;N-(3-trimethoxysilylpropyl)butane-2-sulfonamide

2-hydroxyethyl 2-methylbutanoate;2-methylbutanamide;2-methyl-N-(3-triethoxysilylpropyl)butanamide;2-methyl-N-(3-triethoxysilylpropyl)butane-2-sulfonamide;N-(3-trimethoxysilylpropyl)butane-2-sulfonamide (PubChem CID 158669984) has the molecular formula C50H114N4O18S2Si3 and a molecular weight of 1207.86 g/mol. Its IUPAC name is 2-hydroxyethyl 2-methylbutanoate;2-methylbutanamide;2-methyl-N-(3-triethoxysilylpropyl)butanamide;2-methyl-N-(3-triethoxysilylpropyl)butane-2-sulfonamide;N-(3-trimethoxysilylpropyl)butane-2-sulfonamide.

Molecular Properties

• Compound Name: 2-hydroxyethyl 2-methylbutanoate;2-methylbutanamide;2-methyl-N-(3-triethoxysilylpropyl)butanamide;2-methyl-N-(3-triethoxysilylpropyl)butane-2-sulfonamide;N-(3-trimethoxysilylpropyl)butane-2-sulfonamide
• PubChem CID: 158669984
• Molecular Formula: C50H114N4O18S2Si3
• Molecular Weight: 1207.86 g/mol
• Exact Mass: 1206.69
• IUPAC Name: 2-hydroxyethyl 2-methylbutanoate;2-methylbutanamide;2-methyl-N-(3-triethoxysilylpropyl)butanamide;2-methyl-N-(3-triethoxysilylpropyl)butane-2-sulfonamide;N-(3-trimethoxysilylpropyl)butane-2-sulfonamide
• SMILES: CCC(C)C(=O)OCCO.CCC(C)C(N)=O.CCC(C)S(=O)(=O)NCCC[Si](OC)(OC)OC.CCO[Si](CCCNC(=O)C(C)CC)(OCC)OCC.CCO[Si](CCCNS(=O)(=O)C(C)(C)CC)(OCC)OCC
• InChI: InChI=1S/C14H33NO5SSi.C14H31NO4Si.C10H25NO5SSi.C7H14O3.C5H11NO/c1-7-14(5,6)21(16,17)15-12-11-13-22(18-8-2,19-9-3)20-10-4;1-6-13(5)14(16)15-11-10-12-20(17-7-2,18-8-3)19-9-4;1-6-10(2)17(12,13)11-8-7-9-18(14-3,15-4)16-5;1-3-6(2)7(9)10-5-4-8;1-3-4(2)5(6)7/h15H,7-13H2,1-6H3;13H,6-12H2,1-5H3,(H,15,16);10-11H,6-9H2,1-5H3;6,8H,3-5H2,1-2H3;4H,3H2,1-2H3,(H2,6,7)
• InChIKey: IDVGKBZGPNALBE-UHFFFAOYSA-N
• XLogP: 7.18
• TPSA: 294.13 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 41
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1207.86
LogP ≤ 5	7.18
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-methylbutanoate;2-methylbutanamide;2-methyl-N-(3-triethoxysilylpropyl)butanamide;2-methyl-N-(3-triethoxysilylpropyl)butane-2-sulfonamide;N-(3-trimethoxysilylpropyl)butane-2-sulfonamide?

The IUPAC name of 2-hydroxyethyl 2-methylbutanoate;2-methylbutanamide;2-methyl-N-(3-triethoxysilylpropyl)butanamide;2-methyl-N-(3-triethoxysilylpropyl)butane-2-sulfonamide;N-(3-trimethoxysilylpropyl)butane-2-sulfonamide (CID 158669984) is 2-hydroxyethyl 2-methylbutanoate;2-methylbutanamide;2-methyl-N-(3-triethoxysilylpropyl)butanamide;2-methyl-N-(3-triethoxysilylpropyl)butane-2-sulfonamide;N-(3-trimethoxysilylpropyl)butane-2-sulfonamide.

What is the SMILES notation for 2-hydroxyethyl 2-methylbutanoate;2-methylbutanamide;2-methyl-N-(3-triethoxysilylpropyl)butanamide;2-methyl-N-(3-triethoxysilylpropyl)butane-2-sulfonamide;N-(3-trimethoxysilylpropyl)butane-2-sulfonamide?

The canonical SMILES for 2-hydroxyethyl 2-methylbutanoate;2-methylbutanamide;2-methyl-N-(3-triethoxysilylpropyl)butanamide;2-methyl-N-(3-triethoxysilylpropyl)butane-2-sulfonamide;N-(3-trimethoxysilylpropyl)butane-2-sulfonamide is CCC(C)C(=O)OCCO.CCC(C)C(N)=O.CCC(C)S(=O)(=O)NCCC[Si](OC)(OC)OC.CCO[Si](CCCNC(=O)C(C)CC)(OCC)OCC.CCO[Si](CCCNS(=O)(=O)C(C)(C)CC)(OCC)OCC.

What is the InChIKey of 2-hydroxyethyl 2-methylbutanoate;2-methylbutanamide;2-methyl-N-(3-triethoxysilylpropyl)butanamide;2-methyl-N-(3-triethoxysilylpropyl)butane-2-sulfonamide;N-(3-trimethoxysilylpropyl)butane-2-sulfonamide?

The InChIKey is IDVGKBZGPNALBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33NO5SSi.C14H31NO4Si.C10H25NO5SSi.C7H14O3.C5H11NO/c1-7-14(5,6)21(16,17)15-12-11-13-22(18-8-2,19-9-3)20-10-4;1-6-13(5)14(16)15-11-10-12-20(17-7-2,18-8-3)19-9-4;1-6-10(2)17(12,13)11-8-7-9-18(14-3,15-4)16-5;1-3-6(2)7(9)10-5-4-8;1-3-4(2)5(6)7/h15H,7-13H2,1-6H3;13H,6-12H2,1-5H3,(H,15,16);10-11H,6-9H2,1-5H3;6,8H,3-5H2,1-2H3;4H,3H2,1-2H3,(H2,6,7).

What are the key properties of 2-hydroxyethyl 2-methylbutanoate;2-methylbutanamide;2-methyl-N-(3-triethoxysilylpropyl)butanamide;2-methyl-N-(3-triethoxysilylpropyl)butane-2-sulfonamide;N-(3-trimethoxysilylpropyl)butane-2-sulfonamide?

2-hydroxyethyl 2-methylbutanoate;2-methylbutanamide;2-methyl-N-(3-triethoxysilylpropyl)butanamide;2-methyl-N-(3-triethoxysilylpropyl)butane-2-sulfonamide;N-(3-trimethoxysilylpropyl)butane-2-sulfonamide has a molecular weight of 1207.86 g/mol, XLogP of 7.18, 41 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxyethyl 2-methylbutanoate;2-methylbutanamide;2-methyl-N-(3-triethoxysilylpropyl)butanamide;2-methyl-N-(3-triethoxysilylpropyl)butane-2-sulfonamide;N-(3-trimethoxysilylpropyl)butane-2-sulfonamide is sourced from PubChem (CID 158669984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).