carbonic acid;2-propan-2-ylperoxypropane

C7H16O5 — CID 87099800

IUPACcarbonic acid;2-propan-2-ylperoxypropane
SMILESCC(C)OOC(C)C.O=C(O)O
InChIInChI=1S/C6H14O2.CH2O3/c1-5(2)7-8-6(3)4;2-1(3)4/h5-6H,1-4H3;(H2,2,3,4)
InChIKeyKTVZZJJSXSGJSX-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.97
Rot. Bonds3

About carbonic acid;2-propan-2-ylperoxypropane

carbonic acid;2-propan-2-ylperoxypropane (PubChem CID 87099800) has the molecular formula C7H16O5 and a molecular weight of 180.20 g/mol. Its IUPAC name is carbonic acid;2-propan-2-ylperoxypropane.

Molecular Properties

Compound Namecarbonic acid;2-propan-2-ylperoxypropane
PubChem CID87099800
Molecular FormulaC7H16O5
Molecular Weight180.20 g/mol
Exact Mass180.10
IUPAC Namecarbonic acid;2-propan-2-ylperoxypropane
SMILESCC(C)OOC(C)C.O=C(O)O
InChIInChI=1S/C6H14O2.CH2O3/c1-5(2)7-8-6(3)4;2-1(3)4/h5-6H,1-4H3;(H2,2,3,4)
InChIKeyKTVZZJJSXSGJSX-UHFFFAOYSA-N
XLogP1.97
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

carbonic acid;2-propan-2-yloxypropane
CID 158018053
tert-butyl hydrogen carbonate;2-propan-2-ylperoxypropane
CID 90170180
2-oxo-2-propan-2-ylperoxyacetic acid
CID 151938347
carbonic acid;2-methylpropane
CID 87262286
carbonic acid;methane;2-methylpropane
CID 175033204
carbonic acid;ruthenium
CID 87059075
carbonic acid;ethene;propan-2-yl hydrogen carbonate
CID 175300658
2-methylpropanoic acid;ruthenium
CID 88674751
acetonitrile;propan-2-yloxy hydrogen carbonate
CID 88815827
bis(propan-2-yl 2-methylpropaneperoxoate);zirconium
CID 88861451
carbonic acid;cyclohexane;bis(2-methylpropane)
CID 70485345
propan-2-yl 2,2-dimethylpropaneperoxoate
CID 54308386

Frequently Asked Questions

What is the IUPAC name of carbonic acid;2-propan-2-ylperoxypropane?
The IUPAC name of carbonic acid;2-propan-2-ylperoxypropane (CID 87099800) is carbonic acid;2-propan-2-ylperoxypropane.
What is the SMILES notation for carbonic acid;2-propan-2-ylperoxypropane?
The canonical SMILES for carbonic acid;2-propan-2-ylperoxypropane is CC(C)OOC(C)C.O=C(O)O.
What is the InChIKey of carbonic acid;2-propan-2-ylperoxypropane?
The InChIKey is KTVZZJJSXSGJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.CH2O3/c1-5(2)7-8-6(3)4;2-1(3)4/h5-6H,1-4H3;(H2,2,3,4).
What are the key properties of carbonic acid;2-propan-2-ylperoxypropane?
carbonic acid;2-propan-2-ylperoxypropane has a molecular weight of 180.20 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;2-propan-2-ylperoxypropane is sourced from PubChem (CID 87099800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).