carbonic acid;1-hydroperoxydocosane

C24H50O8 — CID 175324088

IUPACcarbonic acid;1-hydroperoxydocosane
SMILESCCCCCCCCCCCCCCCCCCCCCCOO.O=C(O)O.O=C(O)O
InChIInChI=1S/C22H46O2.2CH2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-23;2*2-1(3)4/h23H,2-22H2,1H3;2*(H2,2,3,4)
InChIKeyXTEUCFNPUUHYNP-UHFFFAOYSA-N
MW466.66 g/mol
LogP8.74
Rot. Bonds21

About carbonic acid;1-hydroperoxydocosane

carbonic acid;1-hydroperoxydocosane (PubChem CID 175324088) has the molecular formula C24H50O8 and a molecular weight of 466.66 g/mol. Its IUPAC name is carbonic acid;1-hydroperoxydocosane.

Molecular Properties

Compound Namecarbonic acid;1-hydroperoxydocosane
PubChem CID175324088
Molecular FormulaC24H50O8
Molecular Weight466.66 g/mol
Exact Mass466.35
IUPAC Namecarbonic acid;1-hydroperoxydocosane
SMILESCCCCCCCCCCCCCCCCCCCCCCOO.O=C(O)O.O=C(O)O
InChIInChI=1S/C22H46O2.2CH2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-23;2*2-1(3)4/h23H,2-22H2,1H3;2*(H2,2,3,4)
InChIKeyXTEUCFNPUUHYNP-UHFFFAOYSA-N
XLogP8.74
TPSA144.52 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.66
LogP ≤ 58.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-hydroperoxyheptadecane
CID 123893325
butanedioic acid;1-hydroperoxyoctadecane
CID 154975384
bis(1-hydroperoxytetradecane) dicarbonate
CID 18381164
N,N-dimethylmethanamine;1-hydroperoxydodecane
CID 174656380
magnesium;hydride;1-hydroperoxypentane
CID 175424420
carbonic acid;bis(hexane)
CID 173367789
cadmium;bis(1-hydroperoxybutane)
CID 134995939
hafnium;1-hydroperoxybutane
CID 159843277
heptaheptacontyl hydrogen carbonate
CID 162768324
1-(2-hydroperoxyethoxy)tridecane
CID 87578926
triheptacontyl hydrogen carbonate
CID 142754463
28-hydroperoxyoctacosan-13-ol
CID 150235554

Frequently Asked Questions

What is the IUPAC name of carbonic acid;1-hydroperoxydocosane?
The IUPAC name of carbonic acid;1-hydroperoxydocosane (CID 175324088) is carbonic acid;1-hydroperoxydocosane.
What is the SMILES notation for carbonic acid;1-hydroperoxydocosane?
The canonical SMILES for carbonic acid;1-hydroperoxydocosane is CCCCCCCCCCCCCCCCCCCCCCOO.O=C(O)O.O=C(O)O.
What is the InChIKey of carbonic acid;1-hydroperoxydocosane?
The InChIKey is XTEUCFNPUUHYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O2.2CH2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-23;2*2-1(3)4/h23H,2-22H2,1H3;2*(H2,2,3,4).
What are the key properties of carbonic acid;1-hydroperoxydocosane?
carbonic acid;1-hydroperoxydocosane has a molecular weight of 466.66 g/mol, XLogP of 8.74, 21 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;1-hydroperoxydocosane is sourced from PubChem (CID 175324088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).