heptoxy-hexan-2-yloxy-diphenylsilane

C25H38O2Si — CID 91741501

IUPACheptoxy-hexan-2-yloxy-diphenylsilane
SMILESCCCCCCCO[Si](OC(C)CCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H38O2Si/c1-4-6-8-9-16-22-26-28(24-18-12-10-13-19-24,25-20-14-11-15-21-25)27-23(3)17-7-5-2/h10-15,18-21,23H,4-9,16-17,22H2,1-3H3
InChIKeyUXLIFACCWJAQIV-UHFFFAOYSA-N
MW398.66 g/mol
LogP5.83
Rot. Bonds14

About heptoxy-hexan-2-yloxy-diphenylsilane

heptoxy-hexan-2-yloxy-diphenylsilane (PubChem CID 91741501) has the molecular formula C25H38O2Si and a molecular weight of 398.66 g/mol. Its IUPAC name is heptoxy-hexan-2-yloxy-diphenylsilane.

Molecular Properties

Compound Nameheptoxy-hexan-2-yloxy-diphenylsilane
PubChem CID91741501
Molecular FormulaC25H38O2Si
Molecular Weight398.66 g/mol
Exact Mass398.26
IUPAC Nameheptoxy-hexan-2-yloxy-diphenylsilane
SMILESCCCCCCCO[Si](OC(C)CCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H38O2Si/c1-4-6-8-9-16-22-26-28(24-18-12-10-13-19-24,25-20-14-11-15-21-25)27-23(3)17-7-5-2/h10-15,18-21,23H,4-9,16-17,22H2,1-3H3
InChIKeyUXLIFACCWJAQIV-UHFFFAOYSA-N
XLogP5.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.66
LogP ≤ 55.83
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'}

Analyze heptoxy-hexan-2-yloxy-diphenylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hexan-2-yloxy-octoxy-diphenylsilane
CID 91742037
dodecoxy-heptan-4-yloxy-diphenylsilane
CID 91744015
3-methylbutan-2-yloxy-diphenyl-tridecoxysilane
CID 91744362
octoxy-pent-4-en-2-yloxy-diphenylsilane
CID 91742014
heptadecoxy-hexan-3-yloxy-diphenylsilane
CID 91745287
hexan-3-yloxy-diphenyl-undecoxysilane
CID 91743620
hexoxy-(5-methoxy-3-methylpentoxy)-diphenylsilane
CID 91732710
hexoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane
CID 91733110
3-methylpentoxy-octoxy-diphenylsilane
CID 91732735
2-methylpentan-3-yloxy-pentoxy-diphenylsilane
CID 91740058
hexoxy-(2-methoxyethoxy)-diphenylsilane
CID 91740712
2-chloropropoxy-hexoxy-diphenylsilane
CID 91722793

Frequently Asked Questions

What is the IUPAC name of heptoxy-hexan-2-yloxy-diphenylsilane?
The IUPAC name of heptoxy-hexan-2-yloxy-diphenylsilane (CID 91741501) is heptoxy-hexan-2-yloxy-diphenylsilane.
What is the SMILES notation for heptoxy-hexan-2-yloxy-diphenylsilane?
The canonical SMILES for heptoxy-hexan-2-yloxy-diphenylsilane is CCCCCCCO[Si](OC(C)CCCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of heptoxy-hexan-2-yloxy-diphenylsilane?
The InChIKey is UXLIFACCWJAQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38O2Si/c1-4-6-8-9-16-22-26-28(24-18-12-10-13-19-24,25-20-14-11-15-21-25)27-23(3)17-7-5-2/h10-15,18-21,23H,4-9,16-17,22H2,1-3H3.
What are the key properties of heptoxy-hexan-2-yloxy-diphenylsilane?
heptoxy-hexan-2-yloxy-diphenylsilane has a molecular weight of 398.66 g/mol, XLogP of 5.83, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptoxy-hexan-2-yloxy-diphenylsilane is sourced from PubChem (CID 91741501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).