tert-butyl-dimethyl-[(E)-12-methylicos-11-enoxy]silane

C27H56OSi — CID 5366937

IUPACtert-butyl-dimethyl-[(E)-12-methylicos-11-enoxy]silane
SMILESCCCCCCCC/C(C)=C/CCCCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H56OSi/c1-8-9-10-11-17-20-23-26(2)24-21-18-15-13-12-14-16-19-22-25-28-29(6,7)27(3,4)5/h24H,8-23,25H2,1-7H3/b26-24+
InChIKeyFULIKBMUKOQXHT-SHHOIMCASA-N
MW424.83 g/mol
LogP10.22
Rot. Bonds19

About tert-butyl-dimethyl-[(E)-12-methylicos-11-enoxy]silane

tert-butyl-dimethyl-[(E)-12-methylicos-11-enoxy]silane (PubChem CID 5366937) has the molecular formula C27H56OSi and a molecular weight of 424.83 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-12-methylicos-11-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-12-methylicos-11-enoxy]silane
PubChem CID5366937
Molecular FormulaC27H56OSi
Molecular Weight424.83 g/mol
Exact Mass424.41
IUPAC Nametert-butyl-dimethyl-[(E)-12-methylicos-11-enoxy]silane
SMILESCCCCCCCC/C(C)=C/CCCCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H56OSi/c1-8-9-10-11-17-20-23-26(2)24-21-18-15-13-12-14-16-19-22-25-28-29(6,7)27(3,4)5/h24H,8-23,25H2,1-7H3/b26-24+
InChIKeyFULIKBMUKOQXHT-SHHOIMCASA-N
XLogP10.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.83
LogP ≤ 510.22
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-dimethyl-[(E)-12-methylicos-11-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E)-12-methylicos-11-enoxy]silane (CID 5366937) is tert-butyl-dimethyl-[(E)-12-methylicos-11-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-12-methylicos-11-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-12-methylicos-11-enoxy]silane is CCCCCCCC/C(C)=C/CCCCCCCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(E)-12-methylicos-11-enoxy]silane?
The InChIKey is FULIKBMUKOQXHT-SHHOIMCASA-N. The full InChI is InChI=1S/C27H56OSi/c1-8-9-10-11-17-20-23-26(2)24-21-18-15-13-12-14-16-19-22-25-28-29(6,7)27(3,4)5/h24H,8-23,25H2,1-7H3/b26-24+.
What are the key properties of tert-butyl-dimethyl-[(E)-12-methylicos-11-enoxy]silane?
tert-butyl-dimethyl-[(E)-12-methylicos-11-enoxy]silane has a molecular weight of 424.83 g/mol, XLogP of 10.22, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E)-12-methylicos-11-enoxy]silane is sourced from PubChem (CID 5366937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).