butoxy-non-5-yn-3-yloxy-diphenylsilane

C25H34O2Si — CID 91738967

IUPACbutoxy-non-5-yn-3-yloxy-diphenylsilane
SMILESCCCC#CCC(CC)O[Si](OCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H34O2Si/c1-4-7-9-12-17-23(6-3)27-28(26-22-8-5-2,24-18-13-10-14-19-24)25-20-15-11-16-21-25/h10-11,13-16,18-21,23H,4-8,17,22H2,1-3H3
InChIKeyQSFYAIJCSUKZED-UHFFFAOYSA-N
MW394.63 g/mol
LogP5.05
Rot. Bonds11

About butoxy-non-5-yn-3-yloxy-diphenylsilane

butoxy-non-5-yn-3-yloxy-diphenylsilane (PubChem CID 91738967) has the molecular formula C25H34O2Si and a molecular weight of 394.63 g/mol. Its IUPAC name is butoxy-non-5-yn-3-yloxy-diphenylsilane.

Molecular Properties

Compound Namebutoxy-non-5-yn-3-yloxy-diphenylsilane
PubChem CID91738967
Molecular FormulaC25H34O2Si
Molecular Weight394.63 g/mol
Exact Mass394.23
IUPAC Namebutoxy-non-5-yn-3-yloxy-diphenylsilane
SMILESCCCC#CCC(CC)O[Si](OCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H34O2Si/c1-4-7-9-12-17-23(6-3)27-28(26-22-8-5-2,24-18-13-10-14-19-24)25-20-15-11-16-21-25/h10-11,13-16,18-21,23H,4-8,17,22H2,1-3H3
InChIKeyQSFYAIJCSUKZED-UHFFFAOYSA-N
XLogP5.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.63
LogP ≤ 55.05
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butoxy-non-5-yn-3-yloxy-diphenylsilane?
The IUPAC name of butoxy-non-5-yn-3-yloxy-diphenylsilane (CID 91738967) is butoxy-non-5-yn-3-yloxy-diphenylsilane.
What is the SMILES notation for butoxy-non-5-yn-3-yloxy-diphenylsilane?
The canonical SMILES for butoxy-non-5-yn-3-yloxy-diphenylsilane is CCCC#CCC(CC)O[Si](OCCCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of butoxy-non-5-yn-3-yloxy-diphenylsilane?
The InChIKey is QSFYAIJCSUKZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O2Si/c1-4-7-9-12-17-23(6-3)27-28(26-22-8-5-2,24-18-13-10-14-19-24)25-20-15-11-16-21-25/h10-11,13-16,18-21,23H,4-8,17,22H2,1-3H3.
What are the key properties of butoxy-non-5-yn-3-yloxy-diphenylsilane?
butoxy-non-5-yn-3-yloxy-diphenylsilane has a molecular weight of 394.63 g/mol, XLogP of 5.05, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-non-5-yn-3-yloxy-diphenylsilane is sourced from PubChem (CID 91738967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).