decylperoxyperoxy hydrogen carbonate

C11H22O7 — CID 22639367

IUPACdecylperoxyperoxy hydrogen carbonate
SMILESCCCCCCCCCCOOOOOC(=O)O
InChIInChI=1S/C11H22O7/c1-2-3-4-5-6-7-8-9-10-14-16-18-17-15-11(12)13/h2-10H2,1H3,(H,12,13)
InChIKeyRLEZADUFJAHGBW-UHFFFAOYSA-N
MW266.29 g/mol
LogP3.55
Rot. Bonds13

About decylperoxyperoxy hydrogen carbonate

decylperoxyperoxy hydrogen carbonate (PubChem CID 22639367) has the molecular formula C11H22O7 and a molecular weight of 266.29 g/mol. Its IUPAC name is decylperoxyperoxy hydrogen carbonate.

Molecular Properties

Compound Namedecylperoxyperoxy hydrogen carbonate
PubChem CID22639367
Molecular FormulaC11H22O7
Molecular Weight266.29 g/mol
Exact Mass266.14
IUPAC Namedecylperoxyperoxy hydrogen carbonate
SMILESCCCCCCCCCCOOOOOC(=O)O
InChIInChI=1S/C11H22O7/c1-2-3-4-5-6-7-8-9-10-14-16-18-17-15-11(12)13/h2-10H2,1H3,(H,12,13)
InChIKeyRLEZADUFJAHGBW-UHFFFAOYSA-N
XLogP3.55
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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
octadecoxyperoxyperoxyperoxy hydrogen carbonate
CID 162505521
undecylperoxyperoxy hydrogen carbonate
CID 18427254
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 decylperoxyperoxy hydrogen carbonate?
The IUPAC name of decylperoxyperoxy hydrogen carbonate (CID 22639367) is decylperoxyperoxy hydrogen carbonate.
What is the SMILES notation for decylperoxyperoxy hydrogen carbonate?
The canonical SMILES for decylperoxyperoxy hydrogen carbonate is CCCCCCCCCCOOOOOC(=O)O.
What is the InChIKey of decylperoxyperoxy hydrogen carbonate?
The InChIKey is RLEZADUFJAHGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O7/c1-2-3-4-5-6-7-8-9-10-14-16-18-17-15-11(12)13/h2-10H2,1H3,(H,12,13).
What are the key properties of decylperoxyperoxy hydrogen carbonate?
decylperoxyperoxy hydrogen carbonate has a molecular weight of 266.29 g/mol, XLogP of 3.55, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for decylperoxyperoxy hydrogen carbonate is sourced from PubChem (CID 22639367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).