but-2-enoxy-dimethoxy-octadecylsilane

C24H50O3Si — CID 162729061

IUPACbut-2-enoxy-dimethoxy-octadecylsilane
SMILESCC=CCO[Si](CCCCCCCCCCCCCCCCCC)(OC)OC
InChIInChI=1S/C24H50O3Si/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-28(25-3,26-4)27-23-8-6-2/h6,8H,5,7,9-24H2,1-4H3
InChIKeyJRWYZYPTFZAEDQ-UHFFFAOYSA-N
MW414.75 g/mol
LogP8.07
Rot. Bonds22

About but-2-enoxy-dimethoxy-octadecylsilane

but-2-enoxy-dimethoxy-octadecylsilane (PubChem CID 162729061) has the molecular formula C24H50O3Si and a molecular weight of 414.75 g/mol. Its IUPAC name is but-2-enoxy-dimethoxy-octadecylsilane.

Molecular Properties

Compound Namebut-2-enoxy-dimethoxy-octadecylsilane
PubChem CID162729061
Molecular FormulaC24H50O3Si
Molecular Weight414.75 g/mol
Exact Mass414.35
IUPAC Namebut-2-enoxy-dimethoxy-octadecylsilane
SMILESCC=CCO[Si](CCCCCCCCCCCCCCCCCC)(OC)OC
InChIInChI=1S/C24H50O3Si/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-28(25-3,26-4)27-23-8-6-2/h6,8H,5,7,9-24H2,1-4H3
InChIKeyJRWYZYPTFZAEDQ-UHFFFAOYSA-N
XLogP8.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.75
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of but-2-enoxy-dimethoxy-octadecylsilane?
The IUPAC name of but-2-enoxy-dimethoxy-octadecylsilane (CID 162729061) is but-2-enoxy-dimethoxy-octadecylsilane.
What is the SMILES notation for but-2-enoxy-dimethoxy-octadecylsilane?
The canonical SMILES for but-2-enoxy-dimethoxy-octadecylsilane is CC=CCO[Si](CCCCCCCCCCCCCCCCCC)(OC)OC.
What is the InChIKey of but-2-enoxy-dimethoxy-octadecylsilane?
The InChIKey is JRWYZYPTFZAEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O3Si/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-28(25-3,26-4)27-23-8-6-2/h6,8H,5,7,9-24H2,1-4H3.
What are the key properties of but-2-enoxy-dimethoxy-octadecylsilane?
but-2-enoxy-dimethoxy-octadecylsilane has a molecular weight of 414.75 g/mol, XLogP of 8.07, 22 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enoxy-dimethoxy-octadecylsilane is sourced from PubChem (CID 162729061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).