non-5-yn-3-yloxy-diphenyl-undecoxysilane

C32H48O2Si — CID 91743637

IUPACnon-5-yn-3-yloxy-diphenyl-undecoxysilane
SMILESCCCC#CCC(CC)O[Si](OCCCCCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H48O2Si/c1-4-7-9-11-12-13-14-15-23-29-33-35(31-25-19-16-20-26-31,32-27-21-17-22-28-32)34-30(6-3)24-18-10-8-5-2/h16-17,19-22,25-28,30H,4-9,11-15,23-24,29H2,1-3H3
InChIKeyBUOLBZMIAXGVTA-UHFFFAOYSA-N
MW492.82 g/mol
LogP7.78
Rot. Bonds18

About non-5-yn-3-yloxy-diphenyl-undecoxysilane

non-5-yn-3-yloxy-diphenyl-undecoxysilane (PubChem CID 91743637) has the molecular formula C32H48O2Si and a molecular weight of 492.82 g/mol. Its IUPAC name is non-5-yn-3-yloxy-diphenyl-undecoxysilane.

Molecular Properties

Compound Namenon-5-yn-3-yloxy-diphenyl-undecoxysilane
PubChem CID91743637
Molecular FormulaC32H48O2Si
Molecular Weight492.82 g/mol
Exact Mass492.34
IUPAC Namenon-5-yn-3-yloxy-diphenyl-undecoxysilane
SMILESCCCC#CCC(CC)O[Si](OCCCCCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H48O2Si/c1-4-7-9-11-12-13-14-15-23-29-33-35(31-25-19-16-20-26-31,32-27-21-17-22-28-32)34-30(6-3)24-18-10-8-5-2/h16-17,19-22,25-28,30H,4-9,11-15,23-24,29H2,1-3H3
InChIKeyBUOLBZMIAXGVTA-UHFFFAOYSA-N
XLogP7.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.82
LogP ≤ 57.78
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 non-5-yn-3-yloxy-diphenyl-undecoxysilane?
The IUPAC name of non-5-yn-3-yloxy-diphenyl-undecoxysilane (CID 91743637) is non-5-yn-3-yloxy-diphenyl-undecoxysilane.
What is the SMILES notation for non-5-yn-3-yloxy-diphenyl-undecoxysilane?
The canonical SMILES for non-5-yn-3-yloxy-diphenyl-undecoxysilane is CCCC#CCC(CC)O[Si](OCCCCCCCCCCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of non-5-yn-3-yloxy-diphenyl-undecoxysilane?
The InChIKey is BUOLBZMIAXGVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48O2Si/c1-4-7-9-11-12-13-14-15-23-29-33-35(31-25-19-16-20-26-31,32-27-21-17-22-28-32)34-30(6-3)24-18-10-8-5-2/h16-17,19-22,25-28,30H,4-9,11-15,23-24,29H2,1-3H3.
What are the key properties of non-5-yn-3-yloxy-diphenyl-undecoxysilane?
non-5-yn-3-yloxy-diphenyl-undecoxysilane has a molecular weight of 492.82 g/mol, XLogP of 7.78, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for non-5-yn-3-yloxy-diphenyl-undecoxysilane is sourced from PubChem (CID 91743637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).