3-methylpentoxy-octoxy-diphenylsilane

C26H40O2Si — CID 91732735

IUPAC3-methylpentoxy-octoxy-diphenylsilane
SMILESCCCCCCCCO[Si](OCCC(C)CC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H40O2Si/c1-4-6-7-8-9-16-22-27-29(25-17-12-10-13-18-25,26-19-14-11-15-20-26)28-23-21-24(3)5-2/h10-15,17-20,24H,4-9,16,21-23H2,1-3H3
InChIKeyFEKWPYPJXHZWTP-UHFFFAOYSA-N
MW412.69 g/mol
LogP6.07
Rot. Bonds15

About 3-methylpentoxy-octoxy-diphenylsilane

3-methylpentoxy-octoxy-diphenylsilane (PubChem CID 91732735) has the molecular formula C26H40O2Si and a molecular weight of 412.69 g/mol. Its IUPAC name is 3-methylpentoxy-octoxy-diphenylsilane.

Molecular Properties

Compound Name3-methylpentoxy-octoxy-diphenylsilane
PubChem CID91732735
Molecular FormulaC26H40O2Si
Molecular Weight412.69 g/mol
Exact Mass412.28
IUPAC Name3-methylpentoxy-octoxy-diphenylsilane
SMILESCCCCCCCCO[Si](OCCC(C)CC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H40O2Si/c1-4-6-7-8-9-16-22-27-29(25-17-12-10-13-18-25,26-19-14-11-15-20-26)28-23-21-24(3)5-2/h10-15,17-20,24H,4-9,16,21-23H2,1-3H3
InChIKeyFEKWPYPJXHZWTP-UHFFFAOYSA-N
XLogP6.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
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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Related Compounds

hexoxy-(5-methoxy-3-methylpentoxy)-diphenylsilane
CID 91732710
hexan-2-yloxy-octoxy-diphenylsilane
CID 91742037
2-chloropropoxy-hexoxy-diphenylsilane
CID 91722793
heptadecoxy-hexan-3-yloxy-diphenylsilane
CID 91745287
heptoxy-hexan-2-yloxy-diphenylsilane
CID 91741501
hexan-3-yloxy-diphenyl-undecoxysilane
CID 91743620
decoxy-diphenyl-(2,4,4-trimethylpentoxy)silane
CID 91743177
dodecoxy-heptan-4-yloxy-diphenylsilane
CID 91744015
hexoxy-(2-methoxyethoxy)-diphenylsilane
CID 91740712
2-fluoroethoxy-octadecoxy-diphenylsilane
CID 91717520
3-methylbutan-2-yloxy-diphenyl-tridecoxysilane
CID 91744362
hexoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane
CID 91733110

Frequently Asked Questions

What is the IUPAC name of 3-methylpentoxy-octoxy-diphenylsilane?
The IUPAC name of 3-methylpentoxy-octoxy-diphenylsilane (CID 91732735) is 3-methylpentoxy-octoxy-diphenylsilane.
What is the SMILES notation for 3-methylpentoxy-octoxy-diphenylsilane?
The canonical SMILES for 3-methylpentoxy-octoxy-diphenylsilane is CCCCCCCCO[Si](OCCC(C)CC)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-methylpentoxy-octoxy-diphenylsilane?
The InChIKey is FEKWPYPJXHZWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40O2Si/c1-4-6-7-8-9-16-22-27-29(25-17-12-10-13-18-25,26-19-14-11-15-20-26)28-23-21-24(3)5-2/h10-15,17-20,24H,4-9,16,21-23H2,1-3H3.
What are the key properties of 3-methylpentoxy-octoxy-diphenylsilane?
3-methylpentoxy-octoxy-diphenylsilane has a molecular weight of 412.69 g/mol, XLogP of 6.07, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpentoxy-octoxy-diphenylsilane is sourced from PubChem (CID 91732735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).