(E)-1-[tert-butyl(dimethyl)silyl]peroxynon-2-en-1-ol

C15H32O3Si — CID 87751128

IUPAC(E)-1-[tert-butyl(dimethyl)silyl]peroxynon-2-en-1-ol
SMILESCCCCCC/C=C/C(O)OO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O3Si/c1-7-8-9-10-11-12-13-14(16)17-18-19(5,6)15(2,3)4/h12-14,16H,7-11H2,1-6H3/b13-12+
InChIKeyJDSGYLNEAMIRKT-OUKQBFOZSA-N
MW288.50 g/mol
LogP4.78
Rot. Bonds9

About (E)-1-[tert-butyl(dimethyl)silyl]peroxynon-2-en-1-ol

(E)-1-[tert-butyl(dimethyl)silyl]peroxynon-2-en-1-ol (PubChem CID 87751128) has the molecular formula C15H32O3Si and a molecular weight of 288.50 g/mol. Its IUPAC name is (E)-1-[tert-butyl(dimethyl)silyl]peroxynon-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-[tert-butyl(dimethyl)silyl]peroxynon-2-en-1-ol
PubChem CID87751128
Molecular FormulaC15H32O3Si
Molecular Weight288.50 g/mol
Exact Mass288.21
IUPAC Name(E)-1-[tert-butyl(dimethyl)silyl]peroxynon-2-en-1-ol
SMILESCCCCCC/C=C/C(O)OO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O3Si/c1-7-8-9-10-11-12-13-14(16)17-18-19(5,6)15(2,3)4/h12-14,16H,7-11H2,1-6H3/b13-12+
InChIKeyJDSGYLNEAMIRKT-OUKQBFOZSA-N
XLogP4.78
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.50
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[tert-butyl(dimethyl)silyl]peroxynon-2-en-1-ol?
The IUPAC name of (E)-1-[tert-butyl(dimethyl)silyl]peroxynon-2-en-1-ol (CID 87751128) is (E)-1-[tert-butyl(dimethyl)silyl]peroxynon-2-en-1-ol.
What is the SMILES notation for (E)-1-[tert-butyl(dimethyl)silyl]peroxynon-2-en-1-ol?
The canonical SMILES for (E)-1-[tert-butyl(dimethyl)silyl]peroxynon-2-en-1-ol is CCCCCC/C=C/C(O)OO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-1-[tert-butyl(dimethyl)silyl]peroxynon-2-en-1-ol?
The InChIKey is JDSGYLNEAMIRKT-OUKQBFOZSA-N. The full InChI is InChI=1S/C15H32O3Si/c1-7-8-9-10-11-12-13-14(16)17-18-19(5,6)15(2,3)4/h12-14,16H,7-11H2,1-6H3/b13-12+.
What are the key properties of (E)-1-[tert-butyl(dimethyl)silyl]peroxynon-2-en-1-ol?
(E)-1-[tert-butyl(dimethyl)silyl]peroxynon-2-en-1-ol has a molecular weight of 288.50 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[tert-butyl(dimethyl)silyl]peroxynon-2-en-1-ol is sourced from PubChem (CID 87751128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).