nonoxy-non-5-yn-3-yloxy-diphenylsilane

C30H44O2Si — CID 91742638

IUPACnonoxy-non-5-yn-3-yloxy-diphenylsilane
SMILESCCCC#CCC(CC)O[Si](OCCCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H44O2Si/c1-4-7-9-11-12-13-21-27-31-33(29-23-17-14-18-24-29,30-25-19-15-20-26-30)32-28(6-3)22-16-10-8-5-2/h14-15,17-20,23-26,28H,4-9,11-13,21-22,27H2,1-3H3
InChIKeyGZEYRJWPTFRZKR-UHFFFAOYSA-N
MW464.77 g/mol
LogP7.00
Rot. Bonds16

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

nonoxy-non-5-yn-3-yloxy-diphenylsilane (PubChem CID 91742638) has the molecular formula C30H44O2Si and a molecular weight of 464.77 g/mol. Its IUPAC name is nonoxy-non-5-yn-3-yloxy-diphenylsilane.

Molecular Properties

Compound Namenonoxy-non-5-yn-3-yloxy-diphenylsilane
PubChem CID91742638
Molecular FormulaC30H44O2Si
Molecular Weight464.77 g/mol
Exact Mass464.31
IUPAC Namenonoxy-non-5-yn-3-yloxy-diphenylsilane
SMILESCCCC#CCC(CC)O[Si](OCCCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H44O2Si/c1-4-7-9-11-12-13-21-27-31-33(29-23-17-14-18-24-29,30-25-19-15-20-26-30)32-28(6-3)22-16-10-8-5-2/h14-15,17-20,23-26,28H,4-9,11-13,21-22,27H2,1-3H3
InChIKeyGZEYRJWPTFRZKR-UHFFFAOYSA-N
XLogP7.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.77
LogP ≤ 57.00
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 nonoxy-non-5-yn-3-yloxy-diphenylsilane?
The IUPAC name of nonoxy-non-5-yn-3-yloxy-diphenylsilane (CID 91742638) is nonoxy-non-5-yn-3-yloxy-diphenylsilane.
What is the SMILES notation for nonoxy-non-5-yn-3-yloxy-diphenylsilane?
The canonical SMILES for nonoxy-non-5-yn-3-yloxy-diphenylsilane is CCCC#CCC(CC)O[Si](OCCCCCCCCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of nonoxy-non-5-yn-3-yloxy-diphenylsilane?
The InChIKey is GZEYRJWPTFRZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44O2Si/c1-4-7-9-11-12-13-21-27-31-33(29-23-17-14-18-24-29,30-25-19-15-20-26-30)32-28(6-3)22-16-10-8-5-2/h14-15,17-20,23-26,28H,4-9,11-13,21-22,27H2,1-3H3.
What are the key properties of nonoxy-non-5-yn-3-yloxy-diphenylsilane?
nonoxy-non-5-yn-3-yloxy-diphenylsilane has a molecular weight of 464.77 g/mol, XLogP of 7.00, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonoxy-non-5-yn-3-yloxy-diphenylsilane is sourced from PubChem (CID 91742638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).