carbonoperoxoyloxy propan-2-yl carbonate

C5H8O7 — CID 146240336

IUPACcarbonoperoxoyloxy propan-2-yl carbonate
SMILESCC(C)OC(=O)OOC(=O)OO
InChIInChI=1S/C5H8O7/c1-3(2)9-4(6)11-12-5(7)10-8/h3,8H,1-2H3
InChIKeyFRIPOOAGVUTRPB-UHFFFAOYSA-N
MW180.11 g/mol
LogP1.09
Rot. Bonds1

About carbonoperoxoyloxy propan-2-yl carbonate

carbonoperoxoyloxy propan-2-yl carbonate (PubChem CID 146240336) has the molecular formula C5H8O7 and a molecular weight of 180.11 g/mol. Its IUPAC name is carbonoperoxoyloxy propan-2-yl carbonate.

Molecular Properties

Compound Namecarbonoperoxoyloxy propan-2-yl carbonate
PubChem CID146240336
Molecular FormulaC5H8O7
Molecular Weight180.11 g/mol
Exact Mass180.03
IUPAC Namecarbonoperoxoyloxy propan-2-yl carbonate
SMILESCC(C)OC(=O)OOC(=O)OO
InChIInChI=1S/C5H8O7/c1-3(2)9-4(6)11-12-5(7)10-8/h3,8H,1-2H3
InChIKeyFRIPOOAGVUTRPB-UHFFFAOYSA-N
XLogP1.09
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.11
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

cyclohexane;hydroxy propan-2-yl carbonate
CID 174791698
carbonoperoxoyloxy hydroxy carbonate
CID 19088294
ethoxy propan-2-yl carbonate
CID 21290921
3-methylbutan-2-yl propan-2-yl carbonate
CID 23388328
[(2S)-3-methylbutan-2-yl] propan-2-yl carbonate
CID 118177700
hydroxy methyl carbonate
CID 158464551
[(2R)-butan-2-yl] [(2R)-butan-2-yl]oxycarbonyloxy carbonate
CID 97292372
azane;propan-2-yl carbamate
CID 172769477
propan-2-yloxycarbonyl 2-(2,3-dimethylbutan-2-ylperoxy)prop-2-eneperoxoate
CID 88610721
carbonoperoxoyloxy oxomethoxy carbonate;ethane;methane;bis(yttrium);trihydrate
CID 157374425
(1-hydroxy-2-methylbut-3-enyl) propan-2-yl carbonate
CID 123199643
propan-2-yl (propan-2-yloxycarbonylamino) carbonate
CID 12985743

Frequently Asked Questions

What is the IUPAC name of carbonoperoxoyloxy propan-2-yl carbonate?
The IUPAC name of carbonoperoxoyloxy propan-2-yl carbonate (CID 146240336) is carbonoperoxoyloxy propan-2-yl carbonate.
What is the SMILES notation for carbonoperoxoyloxy propan-2-yl carbonate?
The canonical SMILES for carbonoperoxoyloxy propan-2-yl carbonate is CC(C)OC(=O)OOC(=O)OO.
What is the InChIKey of carbonoperoxoyloxy propan-2-yl carbonate?
The InChIKey is FRIPOOAGVUTRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O7/c1-3(2)9-4(6)11-12-5(7)10-8/h3,8H,1-2H3.
What are the key properties of carbonoperoxoyloxy propan-2-yl carbonate?
carbonoperoxoyloxy propan-2-yl carbonate has a molecular weight of 180.11 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for carbonoperoxoyloxy propan-2-yl carbonate is sourced from PubChem (CID 146240336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).