undecylperoxyperoxy hydrogen carbonate

C12H24O7 — CID 18427254

IUPACundecylperoxyperoxy hydrogen carbonate
SMILESCCCCCCCCCCCOOOOOC(=O)O
InChIInChI=1S/C12H24O7/c1-2-3-4-5-6-7-8-9-10-11-15-17-19-18-16-12(13)14/h2-11H2,1H3,(H,13,14)
InChIKeyWTAXJONQIKBXTO-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.94
Rot. Bonds14

About undecylperoxyperoxy hydrogen carbonate

undecylperoxyperoxy hydrogen carbonate (PubChem CID 18427254) has the molecular formula C12H24O7 and a molecular weight of 280.32 g/mol. Its IUPAC name is undecylperoxyperoxy hydrogen carbonate.

Molecular Properties

Compound Nameundecylperoxyperoxy hydrogen carbonate
PubChem CID18427254
Molecular FormulaC12H24O7
Molecular Weight280.32 g/mol
Exact Mass280.15
IUPAC Nameundecylperoxyperoxy hydrogen carbonate
SMILESCCCCCCCCCCCOOOOOC(=O)O
InChIInChI=1S/C12H24O7/c1-2-3-4-5-6-7-8-9-10-11-15-17-19-18-16-12(13)14/h2-11H2,1H3,(H,13,14)
InChIKeyWTAXJONQIKBXTO-UHFFFAOYSA-N
XLogP3.94
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.94
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
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 undecylperoxyperoxy hydrogen carbonate?
The IUPAC name of undecylperoxyperoxy hydrogen carbonate (CID 18427254) is undecylperoxyperoxy hydrogen carbonate.
What is the SMILES notation for undecylperoxyperoxy hydrogen carbonate?
The canonical SMILES for undecylperoxyperoxy hydrogen carbonate is CCCCCCCCCCCOOOOOC(=O)O.
What is the InChIKey of undecylperoxyperoxy hydrogen carbonate?
The InChIKey is WTAXJONQIKBXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O7/c1-2-3-4-5-6-7-8-9-10-11-15-17-19-18-16-12(13)14/h2-11H2,1H3,(H,13,14).
What are the key properties of undecylperoxyperoxy hydrogen carbonate?
undecylperoxyperoxy hydrogen carbonate has a molecular weight of 280.32 g/mol, XLogP of 3.94, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for undecylperoxyperoxy hydrogen carbonate is sourced from PubChem (CID 18427254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).