heptoxyperoxyperoxy hydrogen carbonate

C8H16O8 — CID 19818711

IUPACheptoxyperoxyperoxy hydrogen carbonate
SMILESCCCCCCCOOOOOOC(=O)O
InChIInChI=1S/C8H16O8/c1-2-3-4-5-6-7-11-13-15-16-14-12-8(9)10/h2-7H2,1H3,(H,9,10)
InChIKeyMKTFUCHFCIUDJS-UHFFFAOYSA-N
MW240.21 g/mol
LogP2.31
Rot. Bonds11

About heptoxyperoxyperoxy hydrogen carbonate

heptoxyperoxyperoxy hydrogen carbonate (PubChem CID 19818711) has the molecular formula C8H16O8 and a molecular weight of 240.21 g/mol. Its IUPAC name is heptoxyperoxyperoxy hydrogen carbonate.

Molecular Properties

Compound Nameheptoxyperoxyperoxy hydrogen carbonate
PubChem CID19818711
Molecular FormulaC8H16O8
Molecular Weight240.21 g/mol
Exact Mass240.08
IUPAC Nameheptoxyperoxyperoxy hydrogen carbonate
SMILESCCCCCCCOOOOOOC(=O)O
InChIInChI=1S/C8H16O8/c1-2-3-4-5-6-7-11-13-15-16-14-12-8(9)10/h2-7H2,1H3,(H,9,10)
InChIKeyMKTFUCHFCIUDJS-UHFFFAOYSA-N
XLogP2.31
TPSA92.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

octadecoxyperoxyperoxyperoxy hydrogen carbonate
CID 162505521
undecylperoxyperoxy hydrogen carbonate
CID 18427254
decylperoxyperoxy hydrogen carbonate
CID 22639367
octoxyperoxy hydrogen carbonate
CID 23448449
3-(octylamino)propoxyperoxy hydrogen carbonate
CID 168890596
trinonacontylperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxycarbamic acid
CID 87647295
1-butylperoxyperoxynonane
CID 90169675
1-(trioxidanylperoxyperoxy)hexadecane
CID 141273447
1-propylperoxyperoxydodecane
CID 90108856
2-nonylperoxy-2-oxoacetic acid
CID 175494267
hydroxy octylperoxy carbonate
CID 140560938
1-butoxyperoxynonane
CID 90110144

Frequently Asked Questions

What is the IUPAC name of heptoxyperoxyperoxy hydrogen carbonate?
The IUPAC name of heptoxyperoxyperoxy hydrogen carbonate (CID 19818711) is heptoxyperoxyperoxy hydrogen carbonate.
What is the SMILES notation for heptoxyperoxyperoxy hydrogen carbonate?
The canonical SMILES for heptoxyperoxyperoxy hydrogen carbonate is CCCCCCCOOOOOOC(=O)O.
What is the InChIKey of heptoxyperoxyperoxy hydrogen carbonate?
The InChIKey is MKTFUCHFCIUDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O8/c1-2-3-4-5-6-7-11-13-15-16-14-12-8(9)10/h2-7H2,1H3,(H,9,10).
What are the key properties of heptoxyperoxyperoxy hydrogen carbonate?
heptoxyperoxyperoxy hydrogen carbonate has a molecular weight of 240.21 g/mol, XLogP of 2.31, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for heptoxyperoxyperoxy hydrogen carbonate is sourced from PubChem (CID 19818711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).