2,4-dimethylpentan-3-yloxy-octoxy-diphenylsilane

C27H42O2Si — CID 91742041

IUPAC2,4-dimethylpentan-3-yloxy-octoxy-diphenylsilane
SMILESCCCCCCCCO[Si](OC(C(C)C)C(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H42O2Si/c1-6-7-8-9-10-17-22-28-30(25-18-13-11-14-19-25,26-20-15-12-16-21-26)29-27(23(2)3)24(4)5/h11-16,18-21,23-24,27H,6-10,17,22H2,1-5H3
InChIKeyZTYQEKIXLJOIPT-UHFFFAOYSA-N
MW426.72 g/mol
LogP6.32
Rot. Bonds14

About 2,4-dimethylpentan-3-yloxy-octoxy-diphenylsilane

2,4-dimethylpentan-3-yloxy-octoxy-diphenylsilane (PubChem CID 91742041) has the molecular formula C27H42O2Si and a molecular weight of 426.72 g/mol. Its IUPAC name is 2,4-dimethylpentan-3-yloxy-octoxy-diphenylsilane.

Molecular Properties

Compound Name2,4-dimethylpentan-3-yloxy-octoxy-diphenylsilane
PubChem CID91742041
Molecular FormulaC27H42O2Si
Molecular Weight426.72 g/mol
Exact Mass426.30
IUPAC Name2,4-dimethylpentan-3-yloxy-octoxy-diphenylsilane
SMILESCCCCCCCCO[Si](OC(C(C)C)C(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H42O2Si/c1-6-7-8-9-10-17-22-28-30(25-18-13-11-14-19-25,26-20-15-12-16-21-26)29-27(23(2)3)24(4)5/h11-16,18-21,23-24,27H,6-10,17,22H2,1-5H3
InChIKeyZTYQEKIXLJOIPT-UHFFFAOYSA-N
XLogP6.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.72
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentan-3-yloxy-octoxy-diphenylsilane?
The IUPAC name of 2,4-dimethylpentan-3-yloxy-octoxy-diphenylsilane (CID 91742041) is 2,4-dimethylpentan-3-yloxy-octoxy-diphenylsilane.
What is the SMILES notation for 2,4-dimethylpentan-3-yloxy-octoxy-diphenylsilane?
The canonical SMILES for 2,4-dimethylpentan-3-yloxy-octoxy-diphenylsilane is CCCCCCCCO[Si](OC(C(C)C)C(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,4-dimethylpentan-3-yloxy-octoxy-diphenylsilane?
The InChIKey is ZTYQEKIXLJOIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42O2Si/c1-6-7-8-9-10-17-22-28-30(25-18-13-11-14-19-25,26-20-15-12-16-21-26)29-27(23(2)3)24(4)5/h11-16,18-21,23-24,27H,6-10,17,22H2,1-5H3.
What are the key properties of 2,4-dimethylpentan-3-yloxy-octoxy-diphenylsilane?
2,4-dimethylpentan-3-yloxy-octoxy-diphenylsilane has a molecular weight of 426.72 g/mol, XLogP of 6.32, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentan-3-yloxy-octoxy-diphenylsilane is sourced from PubChem (CID 91742041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).