butan-1-ol;methane;methoxy(methyl)silane;3-methylsilylpropan-1-ol;2-(3-methylsilylpropoxy)ethanol;1-propoxypentane

C35H108O9Si6 — CID 159780367

About butan-1-ol;methane;methoxy(methyl)silane;3-methylsilylpropan-1-ol;2-(3-methylsilylpropoxy)ethanol;1-propoxypentane

butan-1-ol;methane;methoxy(methyl)silane;3-methylsilylpropan-1-ol;2-(3-methylsilylpropoxy)ethanol;1-propoxypentane (PubChem CID 159780367) has the molecular formula C35H108O9Si6 and a molecular weight of 841.76 g/mol. Its IUPAC name is butan-1-ol;methane;methoxy(methyl)silane;3-methylsilylpropan-1-ol;2-(3-methylsilylpropoxy)ethanol;1-propoxypentane.

Molecular Properties

• Compound Name: butan-1-ol;methane;methoxy(methyl)silane;3-methylsilylpropan-1-ol;2-(3-methylsilylpropoxy)ethanol;1-propoxypentane
• PubChem CID: 159780367
• Molecular Formula: C35H108O9Si6
• Molecular Weight: 841.76 g/mol
• Exact Mass: 840.66
• IUPAC Name: butan-1-ol;methane;methoxy(methyl)silane;3-methylsilylpropan-1-ol;2-(3-methylsilylpropoxy)ethanol;1-propoxypentane
• SMILES: C.C.C.C.C.CCCCCOCCC.CCCCO.CO[SiH2]C.CO[SiH2]C.CO[SiH2]C.CO[SiH2]C.C[SiH2]CCCO.C[SiH2]CCCOCCO
• InChI: InChI=1S/C8H18O.C6H16O2Si.C4H12OSi.C4H10O.4C2H8OSi.5CH4/c1-3-5-6-8-9-7-4-2;1-9-6-2-4-8-5-3-7;1-6-4-2-3-5;1-2-3-4-5;4*1-3-4-2;;;;;/h3-8H2,1-2H3;7H,2-6,9H2,1H3;5H,2-4,6H2,1H3;5H,2-4H2,1H3;4*4H2,1-2H3;5*1H4
• InChIKey: NHGXWALHCSHGOI-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 116.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 21
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	841.76
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

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 butan-1-ol;methane;methoxy(methyl)silane;3-methylsilylpropan-1-ol;2-(3-methylsilylpropoxy)ethanol;1-propoxypentane?

The IUPAC name of butan-1-ol;methane;methoxy(methyl)silane;3-methylsilylpropan-1-ol;2-(3-methylsilylpropoxy)ethanol;1-propoxypentane (CID 159780367) is butan-1-ol;methane;methoxy(methyl)silane;3-methylsilylpropan-1-ol;2-(3-methylsilylpropoxy)ethanol;1-propoxypentane.

What is the SMILES notation for butan-1-ol;methane;methoxy(methyl)silane;3-methylsilylpropan-1-ol;2-(3-methylsilylpropoxy)ethanol;1-propoxypentane?

The canonical SMILES for butan-1-ol;methane;methoxy(methyl)silane;3-methylsilylpropan-1-ol;2-(3-methylsilylpropoxy)ethanol;1-propoxypentane is C.C.C.C.C.CCCCCOCCC.CCCCO.CO[SiH2]C.CO[SiH2]C.CO[SiH2]C.CO[SiH2]C.C[SiH2]CCCO.C[SiH2]CCCOCCO.

What is the InChIKey of butan-1-ol;methane;methoxy(methyl)silane;3-methylsilylpropan-1-ol;2-(3-methylsilylpropoxy)ethanol;1-propoxypentane?

The InChIKey is NHGXWALHCSHGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.C6H16O2Si.C4H12OSi.C4H10O.4C2H8OSi.5CH4/c1-3-5-6-8-9-7-4-2;1-9-6-2-4-8-5-3-7;1-6-4-2-3-5;1-2-3-4-5;4*1-3-4-2;;;;;/h3-8H2,1-2H3;7H,2-6,9H2,1H3;5H,2-4,6H2,1H3;5H,2-4H2,1H3;4*4H2,1-2H3;5*1H4.

What are the key properties of butan-1-ol;methane;methoxy(methyl)silane;3-methylsilylpropan-1-ol;2-(3-methylsilylpropoxy)ethanol;1-propoxypentane?

butan-1-ol;methane;methoxy(methyl)silane;3-methylsilylpropan-1-ol;2-(3-methylsilylpropoxy)ethanol;1-propoxypentane has a molecular weight of 841.76 g/mol, XLogP of 5.65, 21 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for butan-1-ol;methane;methoxy(methyl)silane;3-methylsilylpropan-1-ol;2-(3-methylsilylpropoxy)ethanol;1-propoxypentane is sourced from PubChem (CID 159780367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).