2-methylpentan-3-yloxy-nonoxy-diphenylsilane

C27H42O2Si — CID 91742637

IUPAC2-methylpentan-3-yloxy-nonoxy-diphenylsilane
SMILESCCCCCCCCCO[Si](OC(CC)C(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H42O2Si/c1-5-7-8-9-10-11-18-23-28-30(25-19-14-12-15-20-25,26-21-16-13-17-22-26)29-27(6-2)24(3)4/h12-17,19-22,24,27H,5-11,18,23H2,1-4H3
InChIKeyXNVSUZUTABNORG-UHFFFAOYSA-N
MW426.72 g/mol
LogP6.46
Rot. Bonds15

About 2-methylpentan-3-yloxy-nonoxy-diphenylsilane

2-methylpentan-3-yloxy-nonoxy-diphenylsilane (PubChem CID 91742637) has the molecular formula C27H42O2Si and a molecular weight of 426.72 g/mol. Its IUPAC name is 2-methylpentan-3-yloxy-nonoxy-diphenylsilane.

Molecular Properties

Compound Name2-methylpentan-3-yloxy-nonoxy-diphenylsilane
PubChem CID91742637
Molecular FormulaC27H42O2Si
Molecular Weight426.72 g/mol
Exact Mass426.30
IUPAC Name2-methylpentan-3-yloxy-nonoxy-diphenylsilane
SMILESCCCCCCCCCO[Si](OC(CC)C(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H42O2Si/c1-5-7-8-9-10-11-18-23-28-30(25-19-14-12-15-20-25,26-21-16-13-17-22-26)29-27(6-2)24(3)4/h12-17,19-22,24,27H,5-11,18,23H2,1-4H3
InChIKeyXNVSUZUTABNORG-UHFFFAOYSA-N
XLogP6.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.72
LogP ≤ 56.46
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-methylpentan-3-yloxy-nonoxy-diphenylsilane?
The IUPAC name of 2-methylpentan-3-yloxy-nonoxy-diphenylsilane (CID 91742637) is 2-methylpentan-3-yloxy-nonoxy-diphenylsilane.
What is the SMILES notation for 2-methylpentan-3-yloxy-nonoxy-diphenylsilane?
The canonical SMILES for 2-methylpentan-3-yloxy-nonoxy-diphenylsilane is CCCCCCCCCO[Si](OC(CC)C(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-methylpentan-3-yloxy-nonoxy-diphenylsilane?
The InChIKey is XNVSUZUTABNORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42O2Si/c1-5-7-8-9-10-11-18-23-28-30(25-19-14-12-15-20-25,26-21-16-13-17-22-26)29-27(6-2)24(3)4/h12-17,19-22,24,27H,5-11,18,23H2,1-4H3.
What are the key properties of 2-methylpentan-3-yloxy-nonoxy-diphenylsilane?
2-methylpentan-3-yloxy-nonoxy-diphenylsilane has a molecular weight of 426.72 g/mol, XLogP of 6.46, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentan-3-yloxy-nonoxy-diphenylsilane is sourced from PubChem (CID 91742637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).