hexoxy-(5-methoxy-3-methylpentoxy)-diphenylsilane

C25H38O3Si — CID 91732710

IUPAChexoxy-(5-methoxy-3-methylpentoxy)-diphenylsilane
SMILESCCCCCCO[Si](OCCC(C)CCOC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H38O3Si/c1-4-5-6-13-20-27-29(24-14-9-7-10-15-24,25-16-11-8-12-17-25)28-22-19-23(2)18-21-26-3/h7-12,14-17,23H,4-6,13,18-22H2,1-3H3
InChIKeyCMNODSIZCFNGDU-UHFFFAOYSA-N
MW414.66 g/mol
LogP4.92
Rot. Bonds15

About hexoxy-(5-methoxy-3-methylpentoxy)-diphenylsilane

hexoxy-(5-methoxy-3-methylpentoxy)-diphenylsilane (PubChem CID 91732710) has the molecular formula C25H38O3Si and a molecular weight of 414.66 g/mol. Its IUPAC name is hexoxy-(5-methoxy-3-methylpentoxy)-diphenylsilane.

Molecular Properties

Compound Namehexoxy-(5-methoxy-3-methylpentoxy)-diphenylsilane
PubChem CID91732710
Molecular FormulaC25H38O3Si
Molecular Weight414.66 g/mol
Exact Mass414.26
IUPAC Namehexoxy-(5-methoxy-3-methylpentoxy)-diphenylsilane
SMILESCCCCCCO[Si](OCCC(C)CCOC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H38O3Si/c1-4-5-6-13-20-27-29(24-14-9-7-10-15-24,25-16-11-8-12-17-25)28-22-19-23(2)18-21-26-3/h7-12,14-17,23H,4-6,13,18-22H2,1-3H3
InChIKeyCMNODSIZCFNGDU-UHFFFAOYSA-N
XLogP4.92
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.66
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

3-methylpentoxy-octoxy-diphenylsilane
CID 91732735
hexoxy-(2-methoxyethoxy)-diphenylsilane
CID 91740712
hexan-2-yloxy-octoxy-diphenylsilane
CID 91742037
heptoxy-hexan-2-yloxy-diphenylsilane
CID 91741501
2-chloropropoxy-hexoxy-diphenylsilane
CID 91722793
decoxy-diphenyl-(2,4,4-trimethylpentoxy)silane
CID 91743177
dodecoxy-heptan-4-yloxy-diphenylsilane
CID 91744015
2-fluoroethoxy-octadecoxy-diphenylsilane
CID 91717520
3-methylbutan-2-yloxy-diphenyl-tridecoxysilane
CID 91744362
2-ethoxyethoxy-octoxy-diphenylsilane
CID 91742546
hexan-3-yloxy-diphenyl-undecoxysilane
CID 91743620
heptadecoxy-hexan-3-yloxy-diphenylsilane
CID 91745287

Frequently Asked Questions

What is the IUPAC name of hexoxy-(5-methoxy-3-methylpentoxy)-diphenylsilane?
The IUPAC name of hexoxy-(5-methoxy-3-methylpentoxy)-diphenylsilane (CID 91732710) is hexoxy-(5-methoxy-3-methylpentoxy)-diphenylsilane.
What is the SMILES notation for hexoxy-(5-methoxy-3-methylpentoxy)-diphenylsilane?
The canonical SMILES for hexoxy-(5-methoxy-3-methylpentoxy)-diphenylsilane is CCCCCCO[Si](OCCC(C)CCOC)(c1ccccc1)c1ccccc1.
What is the InChIKey of hexoxy-(5-methoxy-3-methylpentoxy)-diphenylsilane?
The InChIKey is CMNODSIZCFNGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38O3Si/c1-4-5-6-13-20-27-29(24-14-9-7-10-15-24,25-16-11-8-12-17-25)28-22-19-23(2)18-21-26-3/h7-12,14-17,23H,4-6,13,18-22H2,1-3H3.
What are the key properties of hexoxy-(5-methoxy-3-methylpentoxy)-diphenylsilane?
hexoxy-(5-methoxy-3-methylpentoxy)-diphenylsilane has a molecular weight of 414.66 g/mol, XLogP of 4.92, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexoxy-(5-methoxy-3-methylpentoxy)-diphenylsilane is sourced from PubChem (CID 91732710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).