tert-butyl carboxyoxyperoxy carbonate

C6H10O8 — CID 54274737

IUPACtert-butyl carboxyoxyperoxy carbonate
SMILESCC(C)(C)OC(=O)OOOOC(=O)O
InChIInChI=1S/C6H10O8/c1-6(2,3)10-5(9)12-14-13-11-4(7)8/h1-3H3,(H,7,8)
InChIKeyRMQAIPPJPSWGRQ-UHFFFAOYSA-N
MW210.14 g/mol
LogP1.41
Rot. Bonds3

About tert-butyl carboxyoxyperoxy carbonate

tert-butyl carboxyoxyperoxy carbonate (PubChem CID 54274737) has the molecular formula C6H10O8 and a molecular weight of 210.14 g/mol. Its IUPAC name is tert-butyl carboxyoxyperoxy carbonate.

Molecular Properties

Compound Nametert-butyl carboxyoxyperoxy carbonate
PubChem CID54274737
Molecular FormulaC6H10O8
Molecular Weight210.14 g/mol
Exact Mass210.04
IUPAC Nametert-butyl carboxyoxyperoxy carbonate
SMILESCC(C)(C)OC(=O)OOOOC(=O)O
InChIInChI=1S/C6H10O8/c1-6(2,3)10-5(9)12-14-13-11-4(7)8/h1-3H3,(H,7,8)
InChIKeyRMQAIPPJPSWGRQ-UHFFFAOYSA-N
XLogP1.41
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.14
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

tert-butyl carboxyoxy carbonate;cyclohexylcyclohexane
CID 88548847
tert-butyl hydroxy carbonate
CID 19428429
tert-butylperoxy hydrogen carbonate;prop-1-ene
CID 175150444
tert-butyl hydrogen carbonate;2-methylpropan-2-amine
CID 173023605
carboxyperoxy hydrogen carbonate;uranium
CID 90091510
tert-butyl carboxy carbonate;1,4-dioxane
CID 158983783
tert-butyl iodooxymethyl carbonate
CID 118480207
tert-butyl [2-[(2-methylpropan-2-yl)oxycarbonyloxy]hydrazinyl] carbonate
CID 22076491
tert-butyl carboxy carbonate;N,N-diethylethanamine
CID 158174670
tert-butyl nitroso carbonate
CID 57281441
tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]propyl carbonate
CID 87663163
(2S)-2-aminopropanoic acid;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 91150846

Frequently Asked Questions

What is the IUPAC name of tert-butyl carboxyoxyperoxy carbonate?
The IUPAC name of tert-butyl carboxyoxyperoxy carbonate (CID 54274737) is tert-butyl carboxyoxyperoxy carbonate.
What is the SMILES notation for tert-butyl carboxyoxyperoxy carbonate?
The canonical SMILES for tert-butyl carboxyoxyperoxy carbonate is CC(C)(C)OC(=O)OOOOC(=O)O.
What is the InChIKey of tert-butyl carboxyoxyperoxy carbonate?
The InChIKey is RMQAIPPJPSWGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O8/c1-6(2,3)10-5(9)12-14-13-11-4(7)8/h1-3H3,(H,7,8).
What are the key properties of tert-butyl carboxyoxyperoxy carbonate?
tert-butyl carboxyoxyperoxy carbonate has a molecular weight of 210.14 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl carboxyoxyperoxy carbonate is sourced from PubChem (CID 54274737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).