3-methylpentoxy-nonoxy-diphenylsilane

C27H42O2Si — CID 91732742

IUPAC3-methylpentoxy-nonoxy-diphenylsilane
SMILESCCCCCCCCCO[Si](OCCC(C)CC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H42O2Si/c1-4-6-7-8-9-10-17-23-28-30(26-18-13-11-14-19-26,27-20-15-12-16-21-27)29-24-22-25(3)5-2/h11-16,18-21,25H,4-10,17,22-24H2,1-3H3
InChIKeyPUKNZCDZTMBJHD-UHFFFAOYSA-N
MW426.72 g/mol
LogP6.46
Rot. Bonds16

About 3-methylpentoxy-nonoxy-diphenylsilane

3-methylpentoxy-nonoxy-diphenylsilane (PubChem CID 91732742) has the molecular formula C27H42O2Si and a molecular weight of 426.72 g/mol. Its IUPAC name is 3-methylpentoxy-nonoxy-diphenylsilane.

Molecular Properties

Compound Name3-methylpentoxy-nonoxy-diphenylsilane
PubChem CID91732742
Molecular FormulaC27H42O2Si
Molecular Weight426.72 g/mol
Exact Mass426.30
IUPAC Name3-methylpentoxy-nonoxy-diphenylsilane
SMILESCCCCCCCCCO[Si](OCCC(C)CC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H42O2Si/c1-4-6-7-8-9-10-17-23-28-30(26-18-13-11-14-19-26,27-20-15-12-16-21-27)29-24-22-25(3)5-2/h11-16,18-21,25H,4-10,17,22-24H2,1-3H3
InChIKeyPUKNZCDZTMBJHD-UHFFFAOYSA-N
XLogP6.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
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 3-methylpentoxy-nonoxy-diphenylsilane?
The IUPAC name of 3-methylpentoxy-nonoxy-diphenylsilane (CID 91732742) is 3-methylpentoxy-nonoxy-diphenylsilane.
What is the SMILES notation for 3-methylpentoxy-nonoxy-diphenylsilane?
The canonical SMILES for 3-methylpentoxy-nonoxy-diphenylsilane is CCCCCCCCCO[Si](OCCC(C)CC)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-methylpentoxy-nonoxy-diphenylsilane?
The InChIKey is PUKNZCDZTMBJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42O2Si/c1-4-6-7-8-9-10-17-23-28-30(26-18-13-11-14-19-26,27-20-15-12-16-21-27)29-24-22-25(3)5-2/h11-16,18-21,25H,4-10,17,22-24H2,1-3H3.
What are the key properties of 3-methylpentoxy-nonoxy-diphenylsilane?
3-methylpentoxy-nonoxy-diphenylsilane has a molecular weight of 426.72 g/mol, XLogP of 6.46, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpentoxy-nonoxy-diphenylsilane is sourced from PubChem (CID 91732742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).