2-methylpentan-3-yloxy-octoxy-diphenylsilane

C26H40O2Si — CID 91742039

IUPAC2-methylpentan-3-yloxy-octoxy-diphenylsilane
SMILESCCCCCCCCO[Si](OC(CC)C(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H40O2Si/c1-5-7-8-9-10-17-22-27-29(24-18-13-11-14-19-24,25-20-15-12-16-21-25)28-26(6-2)23(3)4/h11-16,18-21,23,26H,5-10,17,22H2,1-4H3
InChIKeyODXROBFLDHRGHX-UHFFFAOYSA-N
MW412.69 g/mol
LogP6.07
Rot. Bonds14

About 2-methylpentan-3-yloxy-octoxy-diphenylsilane

2-methylpentan-3-yloxy-octoxy-diphenylsilane (PubChem CID 91742039) has the molecular formula C26H40O2Si and a molecular weight of 412.69 g/mol. Its IUPAC name is 2-methylpentan-3-yloxy-octoxy-diphenylsilane.

Molecular Properties

Compound Name2-methylpentan-3-yloxy-octoxy-diphenylsilane
PubChem CID91742039
Molecular FormulaC26H40O2Si
Molecular Weight412.69 g/mol
Exact Mass412.28
IUPAC Name2-methylpentan-3-yloxy-octoxy-diphenylsilane
SMILESCCCCCCCCO[Si](OC(CC)C(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H40O2Si/c1-5-7-8-9-10-17-22-27-29(24-18-13-11-14-19-24,25-20-15-12-16-21-25)28-26(6-2)23(3)4/h11-16,18-21,23,26H,5-10,17,22H2,1-4H3
InChIKeyODXROBFLDHRGHX-UHFFFAOYSA-N
XLogP6.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.69
LogP ≤ 56.07
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-octoxy-diphenylsilane?
The IUPAC name of 2-methylpentan-3-yloxy-octoxy-diphenylsilane (CID 91742039) is 2-methylpentan-3-yloxy-octoxy-diphenylsilane.
What is the SMILES notation for 2-methylpentan-3-yloxy-octoxy-diphenylsilane?
The canonical SMILES for 2-methylpentan-3-yloxy-octoxy-diphenylsilane is CCCCCCCCO[Si](OC(CC)C(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-methylpentan-3-yloxy-octoxy-diphenylsilane?
The InChIKey is ODXROBFLDHRGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40O2Si/c1-5-7-8-9-10-17-22-27-29(24-18-13-11-14-19-24,25-20-15-12-16-21-25)28-26(6-2)23(3)4/h11-16,18-21,23,26H,5-10,17,22H2,1-4H3.
What are the key properties of 2-methylpentan-3-yloxy-octoxy-diphenylsilane?
2-methylpentan-3-yloxy-octoxy-diphenylsilane has a molecular weight of 412.69 g/mol, XLogP of 6.07, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentan-3-yloxy-octoxy-diphenylsilane is sourced from PubChem (CID 91742039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).