tert-butyl-dimethyl-octadec-17-enoxysilane

C24H50OSi — CID 24879926

IUPACtert-butyl-dimethyl-octadec-17-enoxysilane
SMILESC=CCCCCCCCCCCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H50OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-26(5,6)24(2,3)4/h7H,1,8-23H2,2-6H3
InChIKeyKBOAKBZZRBOOHG-UHFFFAOYSA-N
MW382.75 g/mol
LogP9.05
Rot. Bonds18

About tert-butyl-dimethyl-octadec-17-enoxysilane

tert-butyl-dimethyl-octadec-17-enoxysilane (PubChem CID 24879926) has the molecular formula C24H50OSi and a molecular weight of 382.75 g/mol. Its IUPAC name is tert-butyl-dimethyl-octadec-17-enoxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-octadec-17-enoxysilane
PubChem CID24879926
Molecular FormulaC24H50OSi
Molecular Weight382.75 g/mol
Exact Mass382.36
IUPAC Nametert-butyl-dimethyl-octadec-17-enoxysilane
SMILESC=CCCCCCCCCCCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H50OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-26(5,6)24(2,3)4/h7H,1,8-23H2,2-6H3
InChIKeyKBOAKBZZRBOOHG-UHFFFAOYSA-N
XLogP9.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.75
LogP ≤ 59.05
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-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
tert-butyl-dimethyl-(6-prop-2-enoxyhexoxy)silane
CID 11208040
tert-butyl-(6-ethenoxyhexoxy)-dimethylsilane
CID 71372427
tert-butyl-dimethyl-[(Z)-tetracos-15-enoxy]silane
CID 6430267
tert-butyl-[(Z)-icos-5-enoxy]-dimethylsilane
CID 6430269
tert-butyl-dimethyl-[(Z)-non-6-enoxy]silane
CID 59602006
tert-butyl-dimethyl-[(E)-octadec-6-enoxy]silane
CID 6430282
(E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoic acid
CID 87313123
tert-butyl-hexacosoxy-dimethylsilane
CID 6430213
[(E)-7-bromooct-6-enoxy]-tert-butyl-dimethylsilane
CID 135007678

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-octadec-17-enoxysilane?
The IUPAC name of tert-butyl-dimethyl-octadec-17-enoxysilane (CID 24879926) is tert-butyl-dimethyl-octadec-17-enoxysilane.
What is the SMILES notation for tert-butyl-dimethyl-octadec-17-enoxysilane?
The canonical SMILES for tert-butyl-dimethyl-octadec-17-enoxysilane is C=CCCCCCCCCCCCCCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-octadec-17-enoxysilane?
The InChIKey is KBOAKBZZRBOOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-26(5,6)24(2,3)4/h7H,1,8-23H2,2-6H3.
What are the key properties of tert-butyl-dimethyl-octadec-17-enoxysilane?
tert-butyl-dimethyl-octadec-17-enoxysilane has a molecular weight of 382.75 g/mol, XLogP of 9.05, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-octadec-17-enoxysilane is sourced from PubChem (CID 24879926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).