but-2-enoxy-dodecyl-dimethoxysilane

C18H38O3Si — CID 162729063

IUPACbut-2-enoxy-dodecyl-dimethoxysilane
SMILESCC=CCO[Si](CCCCCCCCCCCC)(OC)OC
InChIInChI=1S/C18H38O3Si/c1-5-7-9-10-11-12-13-14-15-16-18-22(19-3,20-4)21-17-8-6-2/h6,8H,5,7,9-18H2,1-4H3
InChIKeyASKRTHSNELGVIC-UHFFFAOYSA-N
MW330.59 g/mol
LogP5.73
Rot. Bonds16

About but-2-enoxy-dodecyl-dimethoxysilane

but-2-enoxy-dodecyl-dimethoxysilane (PubChem CID 162729063) has the molecular formula C18H38O3Si and a molecular weight of 330.59 g/mol. Its IUPAC name is but-2-enoxy-dodecyl-dimethoxysilane.

Molecular Properties

Compound Namebut-2-enoxy-dodecyl-dimethoxysilane
PubChem CID162729063
Molecular FormulaC18H38O3Si
Molecular Weight330.59 g/mol
Exact Mass330.26
IUPAC Namebut-2-enoxy-dodecyl-dimethoxysilane
SMILESCC=CCO[Si](CCCCCCCCCCCC)(OC)OC
InChIInChI=1S/C18H38O3Si/c1-5-7-9-10-11-12-13-14-15-16-18-22(19-3,20-4)21-17-8-6-2/h6,8H,5,7,9-18H2,1-4H3
InChIKeyASKRTHSNELGVIC-UHFFFAOYSA-N
XLogP5.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.59
LogP ≤ 55.73
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-dodecyl-dimethoxysilane?
The IUPAC name of but-2-enoxy-dodecyl-dimethoxysilane (CID 162729063) is but-2-enoxy-dodecyl-dimethoxysilane.
What is the SMILES notation for but-2-enoxy-dodecyl-dimethoxysilane?
The canonical SMILES for but-2-enoxy-dodecyl-dimethoxysilane is CC=CCO[Si](CCCCCCCCCCCC)(OC)OC.
What is the InChIKey of but-2-enoxy-dodecyl-dimethoxysilane?
The InChIKey is ASKRTHSNELGVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O3Si/c1-5-7-9-10-11-12-13-14-15-16-18-22(19-3,20-4)21-17-8-6-2/h6,8H,5,7,9-18H2,1-4H3.
What are the key properties of but-2-enoxy-dodecyl-dimethoxysilane?
but-2-enoxy-dodecyl-dimethoxysilane has a molecular weight of 330.59 g/mol, XLogP of 5.73, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enoxy-dodecyl-dimethoxysilane is sourced from PubChem (CID 162729063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).