tridecylperoxyperoxyperoxymethanediol

C14H30O8 — CID 172677968

IUPACtridecylperoxyperoxyperoxymethanediol
SMILESCCCCCCCCCCCCCOOOOOOC(O)O
InChIInChI=1S/C14H30O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-19-21-22-20-18-14(15)16/h14-16H,2-13H2,1H3
InChIKeyAKUFFESKIVKBRN-UHFFFAOYSA-N
MW326.39 g/mol
LogP3.24
Rot. Bonds18

About tridecylperoxyperoxyperoxymethanediol

tridecylperoxyperoxyperoxymethanediol (PubChem CID 172677968) has the molecular formula C14H30O8 and a molecular weight of 326.39 g/mol. Its IUPAC name is tridecylperoxyperoxyperoxymethanediol.

Molecular Properties

Compound Nametridecylperoxyperoxyperoxymethanediol
PubChem CID172677968
Molecular FormulaC14H30O8
Molecular Weight326.39 g/mol
Exact Mass326.19
IUPAC Nametridecylperoxyperoxyperoxymethanediol
SMILESCCCCCCCCCCCCCOOOOOOC(O)O
InChIInChI=1S/C14H30O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-19-21-22-20-18-14(15)16/h14-16H,2-13H2,1H3
InChIKeyAKUFFESKIVKBRN-UHFFFAOYSA-N
XLogP3.24
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze tridecylperoxyperoxyperoxymethanediol 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

1-butylperoxyperoxynonane
CID 90169675
1-(trioxidanylperoxyperoxy)hexadecane
CID 141273447
1-propylperoxyperoxydodecane
CID 90108856
1-butoxyperoxynonane
CID 90110144
1-propoxyperoxyundecane
CID 90109462
heptoxyperoxyperoxy hydrogen carbonate
CID 19818711
octadecoxyperoxyperoxyperoxy hydrogen carbonate
CID 162505521
undecylperoxyperoxy hydrogen carbonate
CID 18427254
octapentacontoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy methanesulfonate
CID 118194880
decylperoxyperoxy hydrogen carbonate
CID 22639367
1-octylperoxynonane
CID 151564626
icosoxymethanediol
CID 175975847

Frequently Asked Questions

What is the IUPAC name of tridecylperoxyperoxyperoxymethanediol?
The IUPAC name of tridecylperoxyperoxyperoxymethanediol (CID 172677968) is tridecylperoxyperoxyperoxymethanediol.
What is the SMILES notation for tridecylperoxyperoxyperoxymethanediol?
The canonical SMILES for tridecylperoxyperoxyperoxymethanediol is CCCCCCCCCCCCCOOOOOOC(O)O.
What is the InChIKey of tridecylperoxyperoxyperoxymethanediol?
The InChIKey is AKUFFESKIVKBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-19-21-22-20-18-14(15)16/h14-16H,2-13H2,1H3.
What are the key properties of tridecylperoxyperoxyperoxymethanediol?
tridecylperoxyperoxyperoxymethanediol has a molecular weight of 326.39 g/mol, XLogP of 3.24, 18 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tridecylperoxyperoxyperoxymethanediol is sourced from PubChem (CID 172677968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).