tert-butylperoxy propyl carbonate

C8H16O5 — CID 22326011

IUPACtert-butylperoxy propyl carbonate
SMILESCCCOC(=O)OOOC(C)(C)C
InChIInChI=1S/C8H16O5/c1-5-6-10-7(9)11-13-12-8(2,3)4/h5-6H2,1-4H3
InChIKeySSBBXKVCFFZKCZ-UHFFFAOYSA-N
MW192.21 g/mol
LogP2.21
Rot. Bonds4

About tert-butylperoxy propyl carbonate

tert-butylperoxy propyl carbonate (PubChem CID 22326011) has the molecular formula C8H16O5 and a molecular weight of 192.21 g/mol. Its IUPAC name is tert-butylperoxy propyl carbonate.

Molecular Properties

Compound Nametert-butylperoxy propyl carbonate
PubChem CID22326011
Molecular FormulaC8H16O5
Molecular Weight192.21 g/mol
Exact Mass192.10
IUPAC Nametert-butylperoxy propyl carbonate
SMILESCCCOC(=O)OOOC(C)(C)C
InChIInChI=1S/C8H16O5/c1-5-6-10-7(9)11-13-12-8(2,3)4/h5-6H2,1-4H3
InChIKeySSBBXKVCFFZKCZ-UHFFFAOYSA-N
XLogP2.21
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butylperoxy octyl carbonate
CID 162720099
2-methylpentan-2-ylperoxy 3-methylpentyl carbonate
CID 156755031
1-tert-butylperoxycarbonyloxyhexan-3-yl (2-methylpropan-2-yl)oxy carbonate
CID 139754900
propyl 2-amino-2-methylpropanoate;hydrochloride
CID 134284248
1,1-dibutoxyethoxyperoxycarbonyl 1,1-dibutoxyethylperoxy carbonate
CID 88666775
2-methylheptan-2-yloxy 2-(2-methylheptan-2-ylperoxycarbonyloxy)ethyl carbonate
CID 21289257
2-[(2-methylpropan-2-yl)oxyperoxy]-2-oxoacetic acid
CID 22461779
tert-butylperoxy 2-ethylbutaneperoxoate
CID 175334318
(3-hydroxy-2,2-dimethylpropyl) propyl carbonate
CID 18991113
2-hydroperoxy-2-methylpropane;propyl hydrogen carbonate
CID 159910135
(5-tert-butylperoxy-2,5-dimethylhexan-2-yl)oxy 2-[2-(5-tert-butylperoxy-2,5-dimethylhexan-2-yl)peroxycarbonyloxyethoxy]ethyl carbonate
CID 18913350
propoxycarbonyl but-2-eneperoxoate
CID 174379479

Frequently Asked Questions

What is the IUPAC name of tert-butylperoxy propyl carbonate?
The IUPAC name of tert-butylperoxy propyl carbonate (CID 22326011) is tert-butylperoxy propyl carbonate.
What is the SMILES notation for tert-butylperoxy propyl carbonate?
The canonical SMILES for tert-butylperoxy propyl carbonate is CCCOC(=O)OOOC(C)(C)C.
What is the InChIKey of tert-butylperoxy propyl carbonate?
The InChIKey is SSBBXKVCFFZKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O5/c1-5-6-10-7(9)11-13-12-8(2,3)4/h5-6H2,1-4H3.
What are the key properties of tert-butylperoxy propyl carbonate?
tert-butylperoxy propyl carbonate has a molecular weight of 192.21 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylperoxy propyl carbonate is sourced from PubChem (CID 22326011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).