trimethyl(12-trimethylsilyloxyoctadec-9-en-7-yloxy)silane

C24H52O2Si2 — CID 91341822

IUPACtrimethyl(12-trimethylsilyloxyoctadec-9-en-7-yloxy)silane
SMILESCCCCCCC(CC=CCC(CCCCCC)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C24H52O2Si2/c1-9-11-13-15-19-23(25-27(3,4)5)21-17-18-22-24(26-28(6,7)8)20-16-14-12-10-2/h17-18,23-24H,9-16,19-22H2,1-8H3
InChIKeyJKCKJTDUMUVTGV-UHFFFAOYSA-N
MW428.85 g/mol
LogP8.70
Rot. Bonds18

About trimethyl(12-trimethylsilyloxyoctadec-9-en-7-yloxy)silane

trimethyl(12-trimethylsilyloxyoctadec-9-en-7-yloxy)silane (PubChem CID 91341822) has the molecular formula C24H52O2Si2 and a molecular weight of 428.85 g/mol. Its IUPAC name is trimethyl(12-trimethylsilyloxyoctadec-9-en-7-yloxy)silane.

Molecular Properties

Compound Nametrimethyl(12-trimethylsilyloxyoctadec-9-en-7-yloxy)silane
PubChem CID91341822
Molecular FormulaC24H52O2Si2
Molecular Weight428.85 g/mol
Exact Mass428.35
IUPAC Nametrimethyl(12-trimethylsilyloxyoctadec-9-en-7-yloxy)silane
SMILESCCCCCCC(CC=CCC(CCCCCC)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C24H52O2Si2/c1-9-11-13-15-19-23(25-27(3,4)5)21-17-18-22-24(26-28(6,7)8)20-16-14-12-10-2/h17-18,23-24H,9-16,19-22H2,1-8H3
InChIKeyJKCKJTDUMUVTGV-UHFFFAOYSA-N
XLogP8.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.85
LogP ≤ 58.70
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 trimethyl(12-trimethylsilyloxyoctadec-9-en-7-yloxy)silane?
The IUPAC name of trimethyl(12-trimethylsilyloxyoctadec-9-en-7-yloxy)silane (CID 91341822) is trimethyl(12-trimethylsilyloxyoctadec-9-en-7-yloxy)silane.
What is the SMILES notation for trimethyl(12-trimethylsilyloxyoctadec-9-en-7-yloxy)silane?
The canonical SMILES for trimethyl(12-trimethylsilyloxyoctadec-9-en-7-yloxy)silane is CCCCCCC(CC=CCC(CCCCCC)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethyl(12-trimethylsilyloxyoctadec-9-en-7-yloxy)silane?
The InChIKey is JKCKJTDUMUVTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H52O2Si2/c1-9-11-13-15-19-23(25-27(3,4)5)21-17-18-22-24(26-28(6,7)8)20-16-14-12-10-2/h17-18,23-24H,9-16,19-22H2,1-8H3.
What are the key properties of trimethyl(12-trimethylsilyloxyoctadec-9-en-7-yloxy)silane?
trimethyl(12-trimethylsilyloxyoctadec-9-en-7-yloxy)silane has a molecular weight of 428.85 g/mol, XLogP of 8.70, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(12-trimethylsilyloxyoctadec-9-en-7-yloxy)silane is sourced from PubChem (CID 91341822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).