tert-butyl-[(Z)-hexadec-9-enoxy]-dimethylsilane

C22H46OSi — CID 6430272

IUPACtert-butyl-[(Z)-hexadec-9-enoxy]-dimethylsilane
SMILESCCCCCC/C=C\CCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H46OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(5,6)22(2,3)4/h12-13H,7-11,14-21H2,1-6H3/b13-12-
InChIKeyLFUVNHUCKWDETG-SEYXRHQNSA-N
MW354.70 g/mol
LogP8.27
Rot. Bonds15

About tert-butyl-[(Z)-hexadec-9-enoxy]-dimethylsilane

tert-butyl-[(Z)-hexadec-9-enoxy]-dimethylsilane (PubChem CID 6430272) has the molecular formula C22H46OSi and a molecular weight of 354.70 g/mol. Its IUPAC name is tert-butyl-[(Z)-hexadec-9-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z)-hexadec-9-enoxy]-dimethylsilane
PubChem CID6430272
Molecular FormulaC22H46OSi
Molecular Weight354.70 g/mol
Exact Mass354.33
IUPAC Nametert-butyl-[(Z)-hexadec-9-enoxy]-dimethylsilane
SMILESCCCCCC/C=C\CCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H46OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(5,6)22(2,3)4/h12-13H,7-11,14-21H2,1-6H3/b13-12-
InChIKeyLFUVNHUCKWDETG-SEYXRHQNSA-N
XLogP8.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.70
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 tert-butyl-[(Z)-hexadec-9-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(Z)-hexadec-9-enoxy]-dimethylsilane (CID 6430272) is tert-butyl-[(Z)-hexadec-9-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z)-hexadec-9-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z)-hexadec-9-enoxy]-dimethylsilane is CCCCCC/C=C\CCCCCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(Z)-hexadec-9-enoxy]-dimethylsilane?
The InChIKey is LFUVNHUCKWDETG-SEYXRHQNSA-N. The full InChI is InChI=1S/C22H46OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(5,6)22(2,3)4/h12-13H,7-11,14-21H2,1-6H3/b13-12-.
What are the key properties of tert-butyl-[(Z)-hexadec-9-enoxy]-dimethylsilane?
tert-butyl-[(Z)-hexadec-9-enoxy]-dimethylsilane has a molecular weight of 354.70 g/mol, XLogP of 8.27, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z)-hexadec-9-enoxy]-dimethylsilane is sourced from PubChem (CID 6430272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).