1-(2-butoxyethoxy)-4,4-dimethylpentan-2-ol;2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane;4-[[[dimethyl-[3-(methylamino)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butan-1-amine;methane;molecular hydrogen

C48H118N2O12Si3 — CID 167587463

About 1-(2-butoxyethoxy)-4,4-dimethylpentan-2-ol;2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane;4-[[[dimethyl-[3-(methylamino)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butan-1-amine;methane;molecular hydrogen

1-(2-butoxyethoxy)-4,4-dimethylpentan-2-ol;2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane;4-[[[dimethyl-[3-(methylamino)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butan-1-amine;methane;molecular hydrogen (PubChem CID 167587463) has the molecular formula C48H118N2O12Si3 and a molecular weight of 999.73 g/mol. Its IUPAC name is 1-(2-butoxyethoxy)-4,4-dimethylpentan-2-ol;2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane;4-[[[dimethyl-[3-(methylamino)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butan-1-amine;methane;molecular hydrogen.

Molecular Properties

• Compound Name: 1-(2-butoxyethoxy)-4,4-dimethylpentan-2-ol;2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane;4-[[[dimethyl-[3-(methylamino)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butan-1-amine;methane;molecular hydrogen
• PubChem CID: 167587463
• Molecular Formula: C48H118N2O12Si3
• Molecular Weight: 999.73 g/mol
• Exact Mass: 998.80
• IUPAC Name: 1-(2-butoxyethoxy)-4,4-dimethylpentan-2-ol;2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane;4-[[[dimethyl-[3-(methylamino)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butan-1-amine;methane;molecular hydrogen
• SMILES: C.C.C.C.CCCCOCCOCC(O)CC(C)(C)C.CCCCOCCOCCOCCOCCOCCOCC1CO1.CNCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCCN.[H][H]
• InChI: InChI=1S/C17H34O7.C14H38N2O2Si3.C13H28O3.4CH4.H2/c1-2-3-4-18-5-6-19-7-8-20-9-10-21-11-12-22-13-14-23-15-17-16-24-17;1-16-12-10-14-20(4,5)18-21(6,7)17-19(2,3)13-9-8-11-15;1-5-6-7-15-8-9-16-11-12(14)10-13(2,3)4;;;;;/h17H,2-16H2,1H3;16H,8-15H2,1-7H3;12,14H,5-11H2,1-4H3;4*1H4;1H
• InChIKey: HZGYPWGJXWEGSL-UHFFFAOYSA-N
• XLogP: 10.17
• TPSA: 163.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 41
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	999.73
LogP ≤ 5	10.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethoxy)-4,4-dimethylpentan-2-ol;2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane;4-[[[dimethyl-[3-(methylamino)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butan-1-amine;methane;molecular hydrogen?

The IUPAC name of 1-(2-butoxyethoxy)-4,4-dimethylpentan-2-ol;2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane;4-[[[dimethyl-[3-(methylamino)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butan-1-amine;methane;molecular hydrogen (CID 167587463) is 1-(2-butoxyethoxy)-4,4-dimethylpentan-2-ol;2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane;4-[[[dimethyl-[3-(methylamino)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butan-1-amine;methane;molecular hydrogen.

What is the SMILES notation for 1-(2-butoxyethoxy)-4,4-dimethylpentan-2-ol;2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane;4-[[[dimethyl-[3-(methylamino)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butan-1-amine;methane;molecular hydrogen?

The canonical SMILES for 1-(2-butoxyethoxy)-4,4-dimethylpentan-2-ol;2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane;4-[[[dimethyl-[3-(methylamino)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butan-1-amine;methane;molecular hydrogen is C.C.C.C.CCCCOCCOCC(O)CC(C)(C)C.CCCCOCCOCCOCCOCCOCCOCC1CO1.CNCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCCN.[H][H].

What is the InChIKey of 1-(2-butoxyethoxy)-4,4-dimethylpentan-2-ol;2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane;4-[[[dimethyl-[3-(methylamino)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butan-1-amine;methane;molecular hydrogen?

The InChIKey is HZGYPWGJXWEGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O7.C14H38N2O2Si3.C13H28O3.4CH4.H2/c1-2-3-4-18-5-6-19-7-8-20-9-10-21-11-12-22-13-14-23-15-17-16-24-17;1-16-12-10-14-20(4,5)18-21(6,7)17-19(2,3)13-9-8-11-15;1-5-6-7-15-8-9-16-11-12(14)10-13(2,3)4;;;;;/h17H,2-16H2,1H3;16H,8-15H2,1-7H3;12,14H,5-11H2,1-4H3;4*1H4;1H.

What are the key properties of 1-(2-butoxyethoxy)-4,4-dimethylpentan-2-ol;2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane;4-[[[dimethyl-[3-(methylamino)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butan-1-amine;methane;molecular hydrogen?

1-(2-butoxyethoxy)-4,4-dimethylpentan-2-ol;2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane;4-[[[dimethyl-[3-(methylamino)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butan-1-amine;methane;molecular hydrogen has a molecular weight of 999.73 g/mol, XLogP of 10.17, 41 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-butoxyethoxy)-4,4-dimethylpentan-2-ol;2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane;4-[[[dimethyl-[3-(methylamino)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butan-1-amine;methane;molecular hydrogen is sourced from PubChem (CID 167587463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).