tert-butyl-(3,7-dimethyloct-6-enylperoxy)-dimethylsilane

C16H34O2Si — CID 132553745

IUPACtert-butyl-(3,7-dimethyloct-6-enylperoxy)-dimethylsilane
SMILESCC(C)=CCCC(C)CCOO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O2Si/c1-14(2)10-9-11-15(3)12-13-17-18-19(7,8)16(4,5)6/h10,15H,9,11-13H2,1-8H3
InChIKeyHTWSUROUIAGZRE-UHFFFAOYSA-N
MW286.53 g/mol
LogP5.71
Rot. Bonds8

About tert-butyl-(3,7-dimethyloct-6-enylperoxy)-dimethylsilane

tert-butyl-(3,7-dimethyloct-6-enylperoxy)-dimethylsilane (PubChem CID 132553745) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is tert-butyl-(3,7-dimethyloct-6-enylperoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(3,7-dimethyloct-6-enylperoxy)-dimethylsilane
PubChem CID132553745
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Nametert-butyl-(3,7-dimethyloct-6-enylperoxy)-dimethylsilane
SMILESCC(C)=CCCC(C)CCOO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O2Si/c1-14(2)10-9-11-15(3)12-13-17-18-19(7,8)16(4,5)6/h10,15H,9,11-13H2,1-8H3
InChIKeyHTWSUROUIAGZRE-UHFFFAOYSA-N
XLogP5.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.53
LogP ≤ 55.71
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

bis(3,7-dimethyloct-6-enoxy)methanediol
CID 18544976
(6R)-8,8-bis[(3R)-3,7-dimethyloct-6-enoxy]-2,6-dimethyloct-2-ene
CID 87863892
(6S)-2,6-dimethyl-8-(2-methylpropoxy)oct-2-ene
CID 173253621
5,9-dimethyldeca-1,8-diene
CID 12578605
CID 136711061
CID 136711061
[(3R)-3,7-dimethyloct-6-enyl] 2-methylpropanoate
CID 24884268
3,7-dimethyloct-6-enyl 3,7-dimethyloct-6-enoate
CID 3086155
3,7-dimethyloct-6-enyl 2-hydroxypropanoate
CID 15413263
2-(3,7-dimethyloct-6-enoxy)pyrimidine
CID 139618937
trans-(3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(3S)-3,7-dimethyloct-6-enyl]cyclohexan-1-one
CID 100971918
CID 173125400
CID 173125400
(6S)-8-bromo-2,6-dimethyloct-2-ene
CID 10900106

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(3,7-dimethyloct-6-enylperoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(3,7-dimethyloct-6-enylperoxy)-dimethylsilane (CID 132553745) is tert-butyl-(3,7-dimethyloct-6-enylperoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(3,7-dimethyloct-6-enylperoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(3,7-dimethyloct-6-enylperoxy)-dimethylsilane is CC(C)=CCCC(C)CCOO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(3,7-dimethyloct-6-enylperoxy)-dimethylsilane?
The InChIKey is HTWSUROUIAGZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2Si/c1-14(2)10-9-11-15(3)12-13-17-18-19(7,8)16(4,5)6/h10,15H,9,11-13H2,1-8H3.
What are the key properties of tert-butyl-(3,7-dimethyloct-6-enylperoxy)-dimethylsilane?
tert-butyl-(3,7-dimethyloct-6-enylperoxy)-dimethylsilane has a molecular weight of 286.53 g/mol, XLogP of 5.71, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3,7-dimethyloct-6-enylperoxy)-dimethylsilane is sourced from PubChem (CID 132553745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).