4-[tert-butyl(dimethyl)silyl]peroxyoctan-2-one

C14H30O3Si — CID 10612403

IUPAC4-[tert-butyl(dimethyl)silyl]peroxyoctan-2-one
SMILESCCCCC(CC(C)=O)OO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O3Si/c1-8-9-10-13(11-12(2)15)16-17-18(6,7)14(3,4)5/h13H,8-11H2,1-7H3
InChIKeyQHQWOHHVXYCMNI-UHFFFAOYSA-N
MW274.48 g/mol
LogP4.48
Rot. Bonds8

About 4-[tert-butyl(dimethyl)silyl]peroxyoctan-2-one

4-[tert-butyl(dimethyl)silyl]peroxyoctan-2-one (PubChem CID 10612403) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]peroxyoctan-2-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]peroxyoctan-2-one
PubChem CID10612403
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Name4-[tert-butyl(dimethyl)silyl]peroxyoctan-2-one
SMILESCCCCC(CC(C)=O)OO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O3Si/c1-8-9-10-13(11-12(2)15)16-17-18(6,7)14(3,4)5/h13H,8-11H2,1-7H3
InChIKeyQHQWOHHVXYCMNI-UHFFFAOYSA-N
XLogP4.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctanal
CID 11345944
3-[Tert-butyl(dimethyl)silyl]oxyoctan-2-one
CID 88003235
1-[Tert-butyl(dimethyl)silyl]oxyoctan-3-one
CID 10682669
(3R)-3-[(Triethylsilyl)oxy]octanal
CID 15605975
2-[Dimethyl(propan-2-yloxy)silyl]nonan-3-one
CID 72740805
(4R)-4-trimethylsilyloxyoctan-2-one
CID 135036825
(6R)-6-[tert-butyl(dimethyl)silyl]oxyoctan-3-one
CID 135039894
3-[Dimethyl(propan-2-yloxy)silyl]nonan-2-one
CID 135049549
4-[Tert-butyl(dimethyl)silyl]oxyoctan-2-one
CID 135080486
(3R)-3-[tert-butyl(dimethyl)silyl]oxyoctanal
CID 10890592
3-[Tert-butyl(dimethyl)silyl]oxyheptanal
CID 13055110
4-Trimethylsilyloxynonan-2-one
CID 13704473

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]peroxyoctan-2-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]peroxyoctan-2-one (CID 10612403) is 4-[tert-butyl(dimethyl)silyl]peroxyoctan-2-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]peroxyoctan-2-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]peroxyoctan-2-one is CCCCC(CC(C)=O)OO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]peroxyoctan-2-one?
The InChIKey is QHQWOHHVXYCMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3Si/c1-8-9-10-13(11-12(2)15)16-17-18(6,7)14(3,4)5/h13H,8-11H2,1-7H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]peroxyoctan-2-one?
4-[tert-butyl(dimethyl)silyl]peroxyoctan-2-one has a molecular weight of 274.48 g/mol, XLogP of 4.48, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]peroxyoctan-2-one is sourced from PubChem (CID 10612403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).