octoxyperoxy hydrogen carbonate

C9H18O6 — CID 23448449

IUPACoctoxyperoxy hydrogen carbonate
SMILESCCCCCCCCOOOOC(=O)O
InChIInChI=1S/C9H18O6/c1-2-3-4-5-6-7-8-12-14-15-13-9(10)11/h2-8H2,1H3,(H,10,11)
InChIKeyOFNUEXFMSHSIEI-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.84
Rot. Bonds10

About octoxyperoxy hydrogen carbonate

octoxyperoxy hydrogen carbonate (PubChem CID 23448449) has the molecular formula C9H18O6 and a molecular weight of 222.24 g/mol. Its IUPAC name is octoxyperoxy hydrogen carbonate.

Molecular Properties

Compound Nameoctoxyperoxy hydrogen carbonate
PubChem CID23448449
Molecular FormulaC9H18O6
Molecular Weight222.24 g/mol
Exact Mass222.11
IUPAC Nameoctoxyperoxy hydrogen carbonate
SMILESCCCCCCCCOOOOC(=O)O
InChIInChI=1S/C9H18O6/c1-2-3-4-5-6-7-8-12-14-15-13-9(10)11/h2-8H2,1H3,(H,10,11)
InChIKeyOFNUEXFMSHSIEI-UHFFFAOYSA-N
XLogP2.84
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

Analyze octoxyperoxy hydrogen carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

heptoxyperoxyperoxy hydrogen carbonate
CID 19818711
octadecoxyperoxyperoxyperoxy hydrogen carbonate
CID 162505521
undecylperoxyperoxy hydrogen carbonate
CID 18427254
decylperoxyperoxy hydrogen carbonate
CID 22639367
3-(octylamino)propoxyperoxy hydrogen carbonate
CID 168890596
1-butylperoxyperoxynonane
CID 90169675
1-propylperoxyperoxydodecane
CID 90108856
2-nonylperoxy-2-oxoacetic acid
CID 175494267
hydroxy octylperoxy carbonate
CID 140560938
trinonacontylperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxycarbamic acid
CID 87647295
1-butoxyperoxynonane
CID 90110144
1-(trioxidanylperoxyperoxy)hexadecane
CID 141273447

Frequently Asked Questions

What is the IUPAC name of octoxyperoxy hydrogen carbonate?
The IUPAC name of octoxyperoxy hydrogen carbonate (CID 23448449) is octoxyperoxy hydrogen carbonate.
What is the SMILES notation for octoxyperoxy hydrogen carbonate?
The canonical SMILES for octoxyperoxy hydrogen carbonate is CCCCCCCCOOOOC(=O)O.
What is the InChIKey of octoxyperoxy hydrogen carbonate?
The InChIKey is OFNUEXFMSHSIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O6/c1-2-3-4-5-6-7-8-12-14-15-13-9(10)11/h2-8H2,1H3,(H,10,11).
What are the key properties of octoxyperoxy hydrogen carbonate?
octoxyperoxy hydrogen carbonate has a molecular weight of 222.24 g/mol, XLogP of 2.84, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for octoxyperoxy hydrogen carbonate is sourced from PubChem (CID 23448449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).