tert-butylperoxycarbonyloxy (2-methylpropan-2-yl)oxy carbonate

C10H18O8 — CID 154021556

IUPACtert-butylperoxycarbonyloxy (2-methylpropan-2-yl)oxy carbonate
SMILESCC(C)(C)OOC(=O)OOC(=O)OOC(C)(C)C
InChIInChI=1S/C10H18O8/c1-9(2,3)17-15-7(11)13-14-8(12)16-18-10(4,5)6/h1-6H3
InChIKeyDWPYHJWMRUORSA-UHFFFAOYSA-N
MW266.25 g/mol
LogP2.67
Rot. Bonds2

About tert-butylperoxycarbonyloxy (2-methylpropan-2-yl)oxy carbonate

tert-butylperoxycarbonyloxy (2-methylpropan-2-yl)oxy carbonate (PubChem CID 154021556) has the molecular formula C10H18O8 and a molecular weight of 266.25 g/mol. Its IUPAC name is tert-butylperoxycarbonyloxy (2-methylpropan-2-yl)oxy carbonate.

Molecular Properties

Compound Nametert-butylperoxycarbonyloxy (2-methylpropan-2-yl)oxy carbonate
PubChem CID154021556
Molecular FormulaC10H18O8
Molecular Weight266.25 g/mol
Exact Mass266.10
IUPAC Nametert-butylperoxycarbonyloxy (2-methylpropan-2-yl)oxy carbonate
SMILESCC(C)(C)OOC(=O)OOC(=O)OOC(C)(C)C
InChIInChI=1S/C10H18O8/c1-9(2,3)17-15-7(11)13-14-8(12)16-18-10(4,5)6/h1-6H3
InChIKeyDWPYHJWMRUORSA-UHFFFAOYSA-N
XLogP2.67
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

ditert-butyl 2-methylpropanediperoxoate
CID 101280540
tert-butyl 2-methylpropaneperoxoate
CID 160633746
tert-butyl (2S)-2-amino-3-methylbutaneperoxoate
CID 175443890
ditert-butyl (Z)-but-2-enediperoxoate
CID 14454683
tert-butyl ethaneperoxoate;N,N-dimethylmethanamine
CID 174490181
(2-methylpropan-2-yl)oxy 2,4,4-trimethylhexan-2-yl carbonate
CID 171749598
tert-butyl N-aminocarbamoperoxoate
CID 87183092
tert-butyl 2-methylprop-2-eneperoxoate
CID 14092181
tert-butyl N-acetyl-N-ethylcarbamoperoxoate
CID 87996364
1-tert-butylperoxycarbonyloxyhexan-3-yl (2-methylpropan-2-yl)oxy carbonate
CID 139754900
tert-butyl 2-methoxyethaneperoxoate
CID 22323612
ditert-butyl dodecanediperoxoate
CID 56843822

Frequently Asked Questions

What is the IUPAC name of tert-butylperoxycarbonyloxy (2-methylpropan-2-yl)oxy carbonate?
The IUPAC name of tert-butylperoxycarbonyloxy (2-methylpropan-2-yl)oxy carbonate (CID 154021556) is tert-butylperoxycarbonyloxy (2-methylpropan-2-yl)oxy carbonate.
What is the SMILES notation for tert-butylperoxycarbonyloxy (2-methylpropan-2-yl)oxy carbonate?
The canonical SMILES for tert-butylperoxycarbonyloxy (2-methylpropan-2-yl)oxy carbonate is CC(C)(C)OOC(=O)OOC(=O)OOC(C)(C)C.
What is the InChIKey of tert-butylperoxycarbonyloxy (2-methylpropan-2-yl)oxy carbonate?
The InChIKey is DWPYHJWMRUORSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O8/c1-9(2,3)17-15-7(11)13-14-8(12)16-18-10(4,5)6/h1-6H3.
What are the key properties of tert-butylperoxycarbonyloxy (2-methylpropan-2-yl)oxy carbonate?
tert-butylperoxycarbonyloxy (2-methylpropan-2-yl)oxy carbonate has a molecular weight of 266.25 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylperoxycarbonyloxy (2-methylpropan-2-yl)oxy carbonate is sourced from PubChem (CID 154021556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).