tert-butyl-dimethyl-oct-1-en-4-ylperoxysilane

C14H30O2Si — CID 10491465

IUPACtert-butyl-dimethyl-oct-1-en-4-ylperoxysilane
SMILESC=CCC(CCCC)OO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-8-10-12-13(11-9-2)15-16-17(6,7)14(3,4)5/h9,13H,2,8,10-12H2,1,3-7H3
InChIKeyJMCPSXRRBYZIQF-UHFFFAOYSA-N
MW258.48 g/mol
LogP5.07
Rot. Bonds8

About tert-butyl-dimethyl-oct-1-en-4-ylperoxysilane

tert-butyl-dimethyl-oct-1-en-4-ylperoxysilane (PubChem CID 10491465) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is tert-butyl-dimethyl-oct-1-en-4-ylperoxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-oct-1-en-4-ylperoxysilane
PubChem CID10491465
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Nametert-butyl-dimethyl-oct-1-en-4-ylperoxysilane
SMILESC=CCC(CCCC)OO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-8-10-12-13(11-9-2)15-16-17(6,7)14(3,4)5/h9,13H,2,8,10-12H2,1,3-7H3
InChIKeyJMCPSXRRBYZIQF-UHFFFAOYSA-N
XLogP5.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.48
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

Silane, (1,1-dimethylethyl)[(1-ethenylhexyl)oxy]dimethyl-
CID 9986037
4-(Tert-butyldimethylsiloxy)-1,6-heptadiene
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(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-ol
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1-Lithio-3-(t-butyldimethylsilyloxy)-trans-octene
CID 11128673
tert-Butyldimethyl (1-methylhex-5-enyloxy)silane
CID 11241664
tert-butyl-[(4R)-hept-1-en-4-yl]oxy-dimethylsilane
CID 17748151
Tert-butyl-dimethyl-oct-1-en-4-yloxysilane
CID 21528007
Trimethyl(non-1-en-4-yloxy)silane
CID 14592864
tert-butyl-dimethyl-[(3S)-oct-1-en-3-yl]oxysilane;copper(1+)
CID 10709684
tert-butyl-dimethyl-[(4R)-undec-1-en-4-yl]oxysilane
CID 10850655
2,6-Dimethylhepta-1,6-dien-4-yloxy-dimethyl-prop-2-enylsilane
CID 11264920

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-oct-1-en-4-ylperoxysilane?
The IUPAC name of tert-butyl-dimethyl-oct-1-en-4-ylperoxysilane (CID 10491465) is tert-butyl-dimethyl-oct-1-en-4-ylperoxysilane.
What is the SMILES notation for tert-butyl-dimethyl-oct-1-en-4-ylperoxysilane?
The canonical SMILES for tert-butyl-dimethyl-oct-1-en-4-ylperoxysilane is C=CCC(CCCC)OO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-oct-1-en-4-ylperoxysilane?
The InChIKey is JMCPSXRRBYZIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-8-10-12-13(11-9-2)15-16-17(6,7)14(3,4)5/h9,13H,2,8,10-12H2,1,3-7H3.
What are the key properties of tert-butyl-dimethyl-oct-1-en-4-ylperoxysilane?
tert-butyl-dimethyl-oct-1-en-4-ylperoxysilane has a molecular weight of 258.48 g/mol, XLogP of 5.07, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-oct-1-en-4-ylperoxysilane is sourced from PubChem (CID 10491465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).