decoxy-non-5-yn-3-yloxy-diphenylsilane

C31H46O2Si — CID 91743204

IUPACdecoxy-non-5-yn-3-yloxy-diphenylsilane
SMILESCCCC#CCC(CC)O[Si](OCCCCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H46O2Si/c1-4-7-9-11-12-13-14-22-28-32-34(30-24-18-15-19-25-30,31-26-20-16-21-27-31)33-29(6-3)23-17-10-8-5-2/h15-16,18-21,24-27,29H,4-9,11-14,22-23,28H2,1-3H3
InChIKeyYLLHOKBVCZDICP-UHFFFAOYSA-N
MW478.79 g/mol
LogP7.39
Rot. Bonds17

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

decoxy-non-5-yn-3-yloxy-diphenylsilane (PubChem CID 91743204) has the molecular formula C31H46O2Si and a molecular weight of 478.79 g/mol. Its IUPAC name is decoxy-non-5-yn-3-yloxy-diphenylsilane.

Molecular Properties

Compound Namedecoxy-non-5-yn-3-yloxy-diphenylsilane
PubChem CID91743204
Molecular FormulaC31H46O2Si
Molecular Weight478.79 g/mol
Exact Mass478.33
IUPAC Namedecoxy-non-5-yn-3-yloxy-diphenylsilane
SMILESCCCC#CCC(CC)O[Si](OCCCCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H46O2Si/c1-4-7-9-11-12-13-14-22-28-32-34(30-24-18-15-19-25-30,31-26-20-16-21-27-31)33-29(6-3)23-17-10-8-5-2/h15-16,18-21,24-27,29H,4-9,11-14,22-23,28H2,1-3H3
InChIKeyYLLHOKBVCZDICP-UHFFFAOYSA-N
XLogP7.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.79
LogP ≤ 57.39
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 decoxy-non-5-yn-3-yloxy-diphenylsilane?
The IUPAC name of decoxy-non-5-yn-3-yloxy-diphenylsilane (CID 91743204) is decoxy-non-5-yn-3-yloxy-diphenylsilane.
What is the SMILES notation for decoxy-non-5-yn-3-yloxy-diphenylsilane?
The canonical SMILES for decoxy-non-5-yn-3-yloxy-diphenylsilane is CCCC#CCC(CC)O[Si](OCCCCCCCCCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of decoxy-non-5-yn-3-yloxy-diphenylsilane?
The InChIKey is YLLHOKBVCZDICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H46O2Si/c1-4-7-9-11-12-13-14-22-28-32-34(30-24-18-15-19-25-30,31-26-20-16-21-27-31)33-29(6-3)23-17-10-8-5-2/h15-16,18-21,24-27,29H,4-9,11-14,22-23,28H2,1-3H3.
What are the key properties of decoxy-non-5-yn-3-yloxy-diphenylsilane?
decoxy-non-5-yn-3-yloxy-diphenylsilane has a molecular weight of 478.79 g/mol, XLogP of 7.39, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decoxy-non-5-yn-3-yloxy-diphenylsilane is sourced from PubChem (CID 91743204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).