carbonic acid;2-hydroperoxyperoxy-2-methylpropane

C6H14O10 — CID 174991534

IUPACcarbonic acid;2-hydroperoxyperoxy-2-methylpropane
SMILESCC(C)(C)OOOO.O=C(O)O.O=C(O)O
InChIInChI=1S/C4H10O4.2CH2O3/c1-4(2,3)6-8-7-5;2*2-1(3)4/h5H,1-3H3;2*(H2,2,3,4)
InChIKeyPHRZZNIGHBTWEM-UHFFFAOYSA-N
MW246.17 g/mol
LogP1.58
Rot. Bonds2

About carbonic acid;2-hydroperoxyperoxy-2-methylpropane

carbonic acid;2-hydroperoxyperoxy-2-methylpropane (PubChem CID 174991534) has the molecular formula C6H14O10 and a molecular weight of 246.17 g/mol. Its IUPAC name is carbonic acid;2-hydroperoxyperoxy-2-methylpropane.

Molecular Properties

Compound Namecarbonic acid;2-hydroperoxyperoxy-2-methylpropane
PubChem CID174991534
Molecular FormulaC6H14O10
Molecular Weight246.17 g/mol
Exact Mass246.06
IUPAC Namecarbonic acid;2-hydroperoxyperoxy-2-methylpropane
SMILESCC(C)(C)OOOO.O=C(O)O.O=C(O)O
InChIInChI=1S/C4H10O4.2CH2O3/c1-4(2,3)6-8-7-5;2*2-1(3)4/h5H,1-3H3;2*(H2,2,3,4)
InChIKeyPHRZZNIGHBTWEM-UHFFFAOYSA-N
XLogP1.58
TPSA162.98 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.17
LogP ≤ 51.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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

2-[(2-methylpropan-2-yl)oxyperoxy]propan-2-yl hydrogen carbonate
CID 151418656
2-[(2-methylpropan-2-yl)oxyperoxy]-2-oxoacetic acid
CID 22461779
tert-butylperoxy hydrogen carbonate;prop-1-ene
CID 175150444
tert-butylperoxy nitrite
CID 174427320
CID 87914499
CID 87914499
1-O-tert-butyl 4-O-hydroxy but-2-enediperoxoate
CID 123621614
carbonic acid;2-methylpropan-2-ol
CID 87955021
tert-butylperoxy benzenecarboperoxoate
CID 19065300
tert-butylperoxycarbonyloxy (2-methylpropan-2-yl)oxy carbonate
CID 154021556
but-2-enoic acid;2-tert-butylperoxy-2-methylpropane
CID 162086796
carbonic acid;ruthenium
CID 87059075
carbonic acid;chromium
CID 87161202

Frequently Asked Questions

What is the IUPAC name of carbonic acid;2-hydroperoxyperoxy-2-methylpropane?
The IUPAC name of carbonic acid;2-hydroperoxyperoxy-2-methylpropane (CID 174991534) is carbonic acid;2-hydroperoxyperoxy-2-methylpropane.
What is the SMILES notation for carbonic acid;2-hydroperoxyperoxy-2-methylpropane?
The canonical SMILES for carbonic acid;2-hydroperoxyperoxy-2-methylpropane is CC(C)(C)OOOO.O=C(O)O.O=C(O)O.
What is the InChIKey of carbonic acid;2-hydroperoxyperoxy-2-methylpropane?
The InChIKey is PHRZZNIGHBTWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O4.2CH2O3/c1-4(2,3)6-8-7-5;2*2-1(3)4/h5H,1-3H3;2*(H2,2,3,4).
What are the key properties of carbonic acid;2-hydroperoxyperoxy-2-methylpropane?
carbonic acid;2-hydroperoxyperoxy-2-methylpropane has a molecular weight of 246.17 g/mol, XLogP of 1.58, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;2-hydroperoxyperoxy-2-methylpropane is sourced from PubChem (CID 174991534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).