[(E)-but-2-enoxy]-dimethyl-pentadecoxysilane

C21H44O2Si — CID 91718986

IUPAC[(E)-but-2-enoxy]-dimethyl-pentadecoxysilane
SMILESC/C=C/CO[Si](C)(C)OCCCCCCCCCCCCCCC
InChIInChI=1S/C21H44O2Si/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-24(3,4)22-20-8-6-2/h6,8H,5,7,9-21H2,1-4H3/b8-6+
InChIKeyIEQBYCOXBDSTOQ-SOFGYWHQSA-N
MW356.67 g/mol
LogP7.39
Rot. Bonds18

About [(E)-but-2-enoxy]-dimethyl-pentadecoxysilane

[(E)-but-2-enoxy]-dimethyl-pentadecoxysilane (PubChem CID 91718986) has the molecular formula C21H44O2Si and a molecular weight of 356.67 g/mol. Its IUPAC name is [(E)-but-2-enoxy]-dimethyl-pentadecoxysilane.

Molecular Properties

Compound Name[(E)-but-2-enoxy]-dimethyl-pentadecoxysilane
PubChem CID91718986
Molecular FormulaC21H44O2Si
Molecular Weight356.67 g/mol
Exact Mass356.31
IUPAC Name[(E)-but-2-enoxy]-dimethyl-pentadecoxysilane
SMILESC/C=C/CO[Si](C)(C)OCCCCCCCCCCCCCCC
InChIInChI=1S/C21H44O2Si/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-24(3,4)22-20-8-6-2/h6,8H,5,7,9-21H2,1-4H3/b8-6+
InChIKeyIEQBYCOXBDSTOQ-SOFGYWHQSA-N
XLogP7.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.67
LogP ≤ 57.39
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 [(E)-but-2-enoxy]-dimethyl-pentadecoxysilane?
The IUPAC name of [(E)-but-2-enoxy]-dimethyl-pentadecoxysilane (CID 91718986) is [(E)-but-2-enoxy]-dimethyl-pentadecoxysilane.
What is the SMILES notation for [(E)-but-2-enoxy]-dimethyl-pentadecoxysilane?
The canonical SMILES for [(E)-but-2-enoxy]-dimethyl-pentadecoxysilane is C/C=C/CO[Si](C)(C)OCCCCCCCCCCCCCCC.
What is the InChIKey of [(E)-but-2-enoxy]-dimethyl-pentadecoxysilane?
The InChIKey is IEQBYCOXBDSTOQ-SOFGYWHQSA-N. The full InChI is InChI=1S/C21H44O2Si/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-24(3,4)22-20-8-6-2/h6,8H,5,7,9-21H2,1-4H3/b8-6+.
What are the key properties of [(E)-but-2-enoxy]-dimethyl-pentadecoxysilane?
[(E)-but-2-enoxy]-dimethyl-pentadecoxysilane has a molecular weight of 356.67 g/mol, XLogP of 7.39, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-enoxy]-dimethyl-pentadecoxysilane is sourced from PubChem (CID 91718986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).