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

C28H44O2Si — CID 91742640

IUPAC2,4-dimethylpentan-3-yloxy-nonoxy-diphenylsilane
SMILESCCCCCCCCCO[Si](OC(C(C)C)C(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H44O2Si/c1-6-7-8-9-10-11-18-23-29-31(26-19-14-12-15-20-26,27-21-16-13-17-22-27)30-28(24(2)3)25(4)5/h12-17,19-22,24-25,28H,6-11,18,23H2,1-5H3
InChIKeyDXJPMKSGCYDKTK-UHFFFAOYSA-N
MW440.74 g/mol
LogP6.71
Rot. Bonds15

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

2,4-dimethylpentan-3-yloxy-nonoxy-diphenylsilane (PubChem CID 91742640) has the molecular formula C28H44O2Si and a molecular weight of 440.74 g/mol. Its IUPAC name is 2,4-dimethylpentan-3-yloxy-nonoxy-diphenylsilane.

Molecular Properties

Compound Name2,4-dimethylpentan-3-yloxy-nonoxy-diphenylsilane
PubChem CID91742640
Molecular FormulaC28H44O2Si
Molecular Weight440.74 g/mol
Exact Mass440.31
IUPAC Name2,4-dimethylpentan-3-yloxy-nonoxy-diphenylsilane
SMILESCCCCCCCCCO[Si](OC(C(C)C)C(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H44O2Si/c1-6-7-8-9-10-11-18-23-29-31(26-19-14-12-15-20-26,27-21-16-13-17-22-27)30-28(24(2)3)25(4)5/h12-17,19-22,24-25,28H,6-11,18,23H2,1-5H3
InChIKeyDXJPMKSGCYDKTK-UHFFFAOYSA-N
XLogP6.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.74
LogP ≤ 56.71
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-nonoxy-diphenylsilane?
The IUPAC name of 2,4-dimethylpentan-3-yloxy-nonoxy-diphenylsilane (CID 91742640) is 2,4-dimethylpentan-3-yloxy-nonoxy-diphenylsilane.
What is the SMILES notation for 2,4-dimethylpentan-3-yloxy-nonoxy-diphenylsilane?
The canonical SMILES for 2,4-dimethylpentan-3-yloxy-nonoxy-diphenylsilane is CCCCCCCCCO[Si](OC(C(C)C)C(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,4-dimethylpentan-3-yloxy-nonoxy-diphenylsilane?
The InChIKey is DXJPMKSGCYDKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44O2Si/c1-6-7-8-9-10-11-18-23-29-31(26-19-14-12-15-20-26,27-21-16-13-17-22-27)30-28(24(2)3)25(4)5/h12-17,19-22,24-25,28H,6-11,18,23H2,1-5H3.
What are the key properties of 2,4-dimethylpentan-3-yloxy-nonoxy-diphenylsilane?
2,4-dimethylpentan-3-yloxy-nonoxy-diphenylsilane has a molecular weight of 440.74 g/mol, XLogP of 6.71, 15 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-nonoxy-diphenylsilane is sourced from PubChem (CID 91742640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).