dimethyl-non-5-yn-3-yloxy-octadecoxysilane

C29H58O2Si — CID 91744450

IUPACdimethyl-non-5-yn-3-yloxy-octadecoxysilane
SMILESCCCC#CCC(CC)O[Si](C)(C)OCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C29H58O2Si/c1-6-9-11-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-32(4,5)31-29(8-3)27-25-12-10-7-2/h29H,6-11,13-24,26-28H2,1-5H3
InChIKeySGKDKWIWAZDFBX-UHFFFAOYSA-N
MW466.87 g/mol
LogP9.96
Rot. Bonds23

About dimethyl-non-5-yn-3-yloxy-octadecoxysilane

dimethyl-non-5-yn-3-yloxy-octadecoxysilane (PubChem CID 91744450) has the molecular formula C29H58O2Si and a molecular weight of 466.87 g/mol. Its IUPAC name is dimethyl-non-5-yn-3-yloxy-octadecoxysilane.

Molecular Properties

Compound Namedimethyl-non-5-yn-3-yloxy-octadecoxysilane
PubChem CID91744450
Molecular FormulaC29H58O2Si
Molecular Weight466.87 g/mol
Exact Mass466.42
IUPAC Namedimethyl-non-5-yn-3-yloxy-octadecoxysilane
SMILESCCCC#CCC(CC)O[Si](C)(C)OCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C29H58O2Si/c1-6-9-11-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-32(4,5)31-29(8-3)27-25-12-10-7-2/h29H,6-11,13-24,26-28H2,1-5H3
InChIKeySGKDKWIWAZDFBX-UHFFFAOYSA-N
XLogP9.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.87
LogP ≤ 59.96
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 dimethyl-non-5-yn-3-yloxy-octadecoxysilane?
The IUPAC name of dimethyl-non-5-yn-3-yloxy-octadecoxysilane (CID 91744450) is dimethyl-non-5-yn-3-yloxy-octadecoxysilane.
What is the SMILES notation for dimethyl-non-5-yn-3-yloxy-octadecoxysilane?
The canonical SMILES for dimethyl-non-5-yn-3-yloxy-octadecoxysilane is CCCC#CCC(CC)O[Si](C)(C)OCCCCCCCCCCCCCCCCCC.
What is the InChIKey of dimethyl-non-5-yn-3-yloxy-octadecoxysilane?
The InChIKey is SGKDKWIWAZDFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H58O2Si/c1-6-9-11-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-32(4,5)31-29(8-3)27-25-12-10-7-2/h29H,6-11,13-24,26-28H2,1-5H3.
What are the key properties of dimethyl-non-5-yn-3-yloxy-octadecoxysilane?
dimethyl-non-5-yn-3-yloxy-octadecoxysilane has a molecular weight of 466.87 g/mol, XLogP of 9.96, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-non-5-yn-3-yloxy-octadecoxysilane is sourced from PubChem (CID 91744450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).