tert-butylperoxy 2-ethylbutaneperoxoate

C10H20O5 — CID 175334318

IUPACtert-butylperoxy 2-ethylbutaneperoxoate
SMILESCCC(CC)C(=O)OOOOC(C)(C)C
InChIInChI=1S/C10H20O5/c1-6-8(7-2)9(11)12-14-15-13-10(3,4)5/h8H,6-7H2,1-5H3
InChIKeyYYVCGPVEAKZQJN-UHFFFAOYSA-N
MW220.26 g/mol
LogP2.56
Rot. Bonds6

About tert-butylperoxy 2-ethylbutaneperoxoate

tert-butylperoxy 2-ethylbutaneperoxoate (PubChem CID 175334318) has the molecular formula C10H20O5 and a molecular weight of 220.26 g/mol. Its IUPAC name is tert-butylperoxy 2-ethylbutaneperoxoate.

Molecular Properties

Compound Nametert-butylperoxy 2-ethylbutaneperoxoate
PubChem CID175334318
Molecular FormulaC10H20O5
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Nametert-butylperoxy 2-ethylbutaneperoxoate
SMILESCCC(CC)C(=O)OOOOC(C)(C)C
InChIInChI=1S/C10H20O5/c1-6-8(7-2)9(11)12-14-15-13-10(3,4)5/h8H,6-7H2,1-5H3
InChIKeyYYVCGPVEAKZQJN-UHFFFAOYSA-N
XLogP2.56
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethylbutanoylperoxy 2-ethylbutaneperoxoate
CID 56625964
ditert-butyl 2-ethyl-5-methylhexanediperoxoate
CID 101280577
ethyl 2-ethylbutanoate;λ2-stannane
CID 175348208
sodium;ethyl 2-ethylbutanoate;hydride
CID 174848178
tert-butylperoxy propyl carbonate
CID 22326011
2-butylhexanoyloxy 2-butylhexaneperoxoate
CID 157198454
cyclobutane;2-(2-ethylbutanoyloxy)ethyl 2-ethylbutanoate
CID 67882707
tert-butyl (2S)-2-(aminomethyl)butanoate
CID 129371399
tert-butyl 2-(hydroxymethyl)butanoate
CID 87790819
tert-butyl ethaneperoxoate;2-ethylhexanoic acid
CID 175726450
2-ethylhexanoylperoxy 2-ethyl-2-(2-methylpropyl)hexaneperoxoate
CID 54330811
tert-butylperoxycarbonyloxy (2-methylpropan-2-yl)oxy carbonate
CID 154021556

Frequently Asked Questions

What is the IUPAC name of tert-butylperoxy 2-ethylbutaneperoxoate?
The IUPAC name of tert-butylperoxy 2-ethylbutaneperoxoate (CID 175334318) is tert-butylperoxy 2-ethylbutaneperoxoate.
What is the SMILES notation for tert-butylperoxy 2-ethylbutaneperoxoate?
The canonical SMILES for tert-butylperoxy 2-ethylbutaneperoxoate is CCC(CC)C(=O)OOOOC(C)(C)C.
What is the InChIKey of tert-butylperoxy 2-ethylbutaneperoxoate?
The InChIKey is YYVCGPVEAKZQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5/c1-6-8(7-2)9(11)12-14-15-13-10(3,4)5/h8H,6-7H2,1-5H3.
What are the key properties of tert-butylperoxy 2-ethylbutaneperoxoate?
tert-butylperoxy 2-ethylbutaneperoxoate has a molecular weight of 220.26 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylperoxy 2-ethylbutaneperoxoate is sourced from PubChem (CID 175334318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).