tert-butyl-[(Z)-icos-5-enoxy]-dimethylsilane

C26H54OSi — CID 6430269

IUPACtert-butyl-[(Z)-icos-5-enoxy]-dimethylsilane
SMILESCCCCCCCCCCCCCC/C=C\CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H54OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-28(5,6)26(2,3)4/h20-21H,7-19,22-25H2,1-6H3/b21-20-
InChIKeyOWKDNNPLCZIQPV-MRCUWXFGSA-N
MW410.80 g/mol
LogP9.83
Rot. Bonds19

About tert-butyl-[(Z)-icos-5-enoxy]-dimethylsilane

tert-butyl-[(Z)-icos-5-enoxy]-dimethylsilane (PubChem CID 6430269) has the molecular formula C26H54OSi and a molecular weight of 410.80 g/mol. Its IUPAC name is tert-butyl-[(Z)-icos-5-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z)-icos-5-enoxy]-dimethylsilane
PubChem CID6430269
Molecular FormulaC26H54OSi
Molecular Weight410.80 g/mol
Exact Mass410.39
IUPAC Nametert-butyl-[(Z)-icos-5-enoxy]-dimethylsilane
SMILESCCCCCCCCCCCCCC/C=C\CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H54OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-28(5,6)26(2,3)4/h20-21H,7-19,22-25H2,1-6H3/b21-20-
InChIKeyOWKDNNPLCZIQPV-MRCUWXFGSA-N
XLogP9.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.80
LogP ≤ 59.83
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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Related Compounds

tert-butyl-dimethyl-[(Z)-tetracos-15-enoxy]silane
CID 6430267
tert-butyl-dimethyl-[(E)-octadec-6-enoxy]silane
CID 6430282
tert-butyl-dimethyl-[(Z)-non-6-enoxy]silane
CID 59602006
tert-butyl-hexacosoxy-dimethylsilane
CID 6430213
tert-butyl-[(10E,12Z)-hexadeca-10,12-dienoxy]-dimethylsilane
CID 11371613
tert-butyl-dimethyl-[(Z)-tetradec-8-en-3-ynoxy]silane
CID 134841889
(4S,13Z,16Z)-1-[tert-butyl(dimethyl)silyl]oxydocosa-13,16-dien-4-ol
CID 125481290
tert-butyl-[(7Z,9Z,11Z,13Z)-hexadeca-7,9,11,13-tetraenoxy]-dimethylsilane
CID 101176101
methyl-tris(octadec-9-enoxy)silane
CID 91284347
tert-butyl-[(E)-12,12-difluorododec-4-enoxy]-dimethylsilane
CID 59708132
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z)-icos-5-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(Z)-icos-5-enoxy]-dimethylsilane (CID 6430269) is tert-butyl-[(Z)-icos-5-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z)-icos-5-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z)-icos-5-enoxy]-dimethylsilane is CCCCCCCCCCCCCC/C=C\CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(Z)-icos-5-enoxy]-dimethylsilane?
The InChIKey is OWKDNNPLCZIQPV-MRCUWXFGSA-N. The full InChI is InChI=1S/C26H54OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-28(5,6)26(2,3)4/h20-21H,7-19,22-25H2,1-6H3/b21-20-.
What are the key properties of tert-butyl-[(Z)-icos-5-enoxy]-dimethylsilane?
tert-butyl-[(Z)-icos-5-enoxy]-dimethylsilane has a molecular weight of 410.80 g/mol, XLogP of 9.83, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z)-icos-5-enoxy]-dimethylsilane is sourced from PubChem (CID 6430269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).