tert-butyl-[(E)-1-methoxynon-2-enyl]peroxy-dimethylsilane

C16H34O3Si — CID 11197411

IUPACtert-butyl-[(E)-1-methoxynon-2-enyl]peroxy-dimethylsilane
SMILESCCCCCC/C=C/C(OC)OO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O3Si/c1-8-9-10-11-12-13-14-15(17-5)18-19-20(6,7)16(2,3)4/h13-15H,8-12H2,1-7H3/b14-13+
InChIKeyWCXOCFJZRIEHIX-BUHFOSPRSA-N
MW302.53 g/mol
LogP5.44
Rot. Bonds10

About tert-butyl-[(E)-1-methoxynon-2-enyl]peroxy-dimethylsilane

tert-butyl-[(E)-1-methoxynon-2-enyl]peroxy-dimethylsilane (PubChem CID 11197411) has the molecular formula C16H34O3Si and a molecular weight of 302.53 g/mol. Its IUPAC name is tert-butyl-[(E)-1-methoxynon-2-enyl]peroxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-1-methoxynon-2-enyl]peroxy-dimethylsilane
PubChem CID11197411
Molecular FormulaC16H34O3Si
Molecular Weight302.53 g/mol
Exact Mass302.23
IUPAC Nametert-butyl-[(E)-1-methoxynon-2-enyl]peroxy-dimethylsilane
SMILESCCCCCC/C=C/C(OC)OO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O3Si/c1-8-9-10-11-12-13-14-15(17-5)18-19-20(6,7)16(2,3)4/h13-15H,8-12H2,1-7H3/b14-13+
InChIKeyWCXOCFJZRIEHIX-BUHFOSPRSA-N
XLogP5.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.53
LogP ≤ 55.44
H-Bond Donors ≤ 50
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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Related Compounds

tert-butyl-dimethyl-[[(2E,13Z)-1-oxacyclopentadeca-2,13-dien-2-yl]oxy]silane
CID 134840408
tert-butyl-dimethyl-[[(2E,11E)-1-oxacyclotrideca-2,11-dien-2-yl]oxy]silane
CID 134840461
tert-butyl-[(2E,4Z)-1-methoxyundeca-2,4-dienyl]peroxy-dimethylsilane
CID 101724402

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-1-methoxynon-2-enyl]peroxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-1-methoxynon-2-enyl]peroxy-dimethylsilane (CID 11197411) is tert-butyl-[(E)-1-methoxynon-2-enyl]peroxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-1-methoxynon-2-enyl]peroxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-1-methoxynon-2-enyl]peroxy-dimethylsilane is CCCCCC/C=C/C(OC)OO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E)-1-methoxynon-2-enyl]peroxy-dimethylsilane?
The InChIKey is WCXOCFJZRIEHIX-BUHFOSPRSA-N. The full InChI is InChI=1S/C16H34O3Si/c1-8-9-10-11-12-13-14-15(17-5)18-19-20(6,7)16(2,3)4/h13-15H,8-12H2,1-7H3/b14-13+.
What are the key properties of tert-butyl-[(E)-1-methoxynon-2-enyl]peroxy-dimethylsilane?
tert-butyl-[(E)-1-methoxynon-2-enyl]peroxy-dimethylsilane has a molecular weight of 302.53 g/mol, XLogP of 5.44, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-1-methoxynon-2-enyl]peroxy-dimethylsilane is sourced from PubChem (CID 11197411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).