but-3-enoxy-dimethyl-octadecoxysilane

C24H50O2Si — CID 91743802

IUPACbut-3-enoxy-dimethyl-octadecoxysilane
SMILESC=CCCO[Si](C)(C)OCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C24H50O2Si/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26-27(3,4)25-23-8-6-2/h6H,2,5,7-24H2,1,3-4H3
InChIKeyNLNISYLGBULCFP-UHFFFAOYSA-N
MW398.75 g/mol
LogP8.56
Rot. Bonds22

About but-3-enoxy-dimethyl-octadecoxysilane

but-3-enoxy-dimethyl-octadecoxysilane (PubChem CID 91743802) has the molecular formula C24H50O2Si and a molecular weight of 398.75 g/mol. Its IUPAC name is but-3-enoxy-dimethyl-octadecoxysilane.

Molecular Properties

Compound Namebut-3-enoxy-dimethyl-octadecoxysilane
PubChem CID91743802
Molecular FormulaC24H50O2Si
Molecular Weight398.75 g/mol
Exact Mass398.36
IUPAC Namebut-3-enoxy-dimethyl-octadecoxysilane
SMILESC=CCCO[Si](C)(C)OCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C24H50O2Si/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26-27(3,4)25-23-8-6-2/h6H,2,5,7-24H2,1,3-4H3
InChIKeyNLNISYLGBULCFP-UHFFFAOYSA-N
XLogP8.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.75
LogP ≤ 58.56
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of but-3-enoxy-dimethyl-octadecoxysilane?
The IUPAC name of but-3-enoxy-dimethyl-octadecoxysilane (CID 91743802) is but-3-enoxy-dimethyl-octadecoxysilane.
What is the SMILES notation for but-3-enoxy-dimethyl-octadecoxysilane?
The canonical SMILES for but-3-enoxy-dimethyl-octadecoxysilane is C=CCCO[Si](C)(C)OCCCCCCCCCCCCCCCCCC.
What is the InChIKey of but-3-enoxy-dimethyl-octadecoxysilane?
The InChIKey is NLNISYLGBULCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O2Si/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26-27(3,4)25-23-8-6-2/h6H,2,5,7-24H2,1,3-4H3.
What are the key properties of but-3-enoxy-dimethyl-octadecoxysilane?
but-3-enoxy-dimethyl-octadecoxysilane has a molecular weight of 398.75 g/mol, XLogP of 8.56, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enoxy-dimethyl-octadecoxysilane is sourced from PubChem (CID 91743802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).