octadecoxyperoxyperoxyperoxy hydrogen carbonate

C19H38O10 — CID 162505521

IUPACoctadecoxyperoxyperoxyperoxy hydrogen carbonate
SMILESCCCCCCCCCCCCCCCCCCOOOOOOOOC(=O)O
InChIInChI=1S/C19H38O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-24-26-28-29-27-25-23-19(20)21/h2-18H2,1H3,(H,20,21)
InChIKeyFNFQLXFZQIUYOD-UHFFFAOYSA-N
MW426.50 g/mol
LogP6.46
Rot. Bonds24

About octadecoxyperoxyperoxyperoxy hydrogen carbonate

octadecoxyperoxyperoxyperoxy hydrogen carbonate (PubChem CID 162505521) has the molecular formula C19H38O10 and a molecular weight of 426.50 g/mol. Its IUPAC name is octadecoxyperoxyperoxyperoxy hydrogen carbonate.

Molecular Properties

Compound Nameoctadecoxyperoxyperoxyperoxy hydrogen carbonate
PubChem CID162505521
Molecular FormulaC19H38O10
Molecular Weight426.50 g/mol
Exact Mass426.25
IUPAC Nameoctadecoxyperoxyperoxyperoxy hydrogen carbonate
SMILESCCCCCCCCCCCCCCCCCCOOOOOOOOC(=O)O
InChIInChI=1S/C19H38O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-24-26-28-29-27-25-23-19(20)21/h2-18H2,1H3,(H,20,21)
InChIKeyFNFQLXFZQIUYOD-UHFFFAOYSA-N
XLogP6.46
TPSA111.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.50
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

heptoxyperoxyperoxy hydrogen carbonate
CID 19818711
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 octadecoxyperoxyperoxyperoxy hydrogen carbonate?
The IUPAC name of octadecoxyperoxyperoxyperoxy hydrogen carbonate (CID 162505521) is octadecoxyperoxyperoxyperoxy hydrogen carbonate.
What is the SMILES notation for octadecoxyperoxyperoxyperoxy hydrogen carbonate?
The canonical SMILES for octadecoxyperoxyperoxyperoxy hydrogen carbonate is CCCCCCCCCCCCCCCCCCOOOOOOOOC(=O)O.
What is the InChIKey of octadecoxyperoxyperoxyperoxy hydrogen carbonate?
The InChIKey is FNFQLXFZQIUYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-24-26-28-29-27-25-23-19(20)21/h2-18H2,1H3,(H,20,21).
What are the key properties of octadecoxyperoxyperoxyperoxy hydrogen carbonate?
octadecoxyperoxyperoxyperoxy hydrogen carbonate has a molecular weight of 426.50 g/mol, XLogP of 6.46, 24 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for octadecoxyperoxyperoxyperoxy hydrogen carbonate is sourced from PubChem (CID 162505521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).