hydroxy octylperoxy carbonate

C9H18O6 — CID 140560938

IUPAChydroxy octylperoxy carbonate
SMILESCCCCCCCCOOOC(=O)OO
InChIInChI=1S/C9H18O6/c1-2-3-4-5-6-7-8-12-15-14-9(10)13-11/h11H,2-8H2,1H3
InChIKeyJEDVNPVOORTUBO-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.84
Rot. Bonds9

About hydroxy octylperoxy carbonate

hydroxy octylperoxy carbonate (PubChem CID 140560938) has the molecular formula C9H18O6 and a molecular weight of 222.24 g/mol. Its IUPAC name is hydroxy octylperoxy carbonate.

Molecular Properties

Compound Namehydroxy octylperoxy carbonate
PubChem CID140560938
Molecular FormulaC9H18O6
Molecular Weight222.24 g/mol
Exact Mass222.11
IUPAC Namehydroxy octylperoxy carbonate
SMILESCCCCCCCCOOOC(=O)OO
InChIInChI=1S/C9H18O6/c1-2-3-4-5-6-7-8-12-15-14-9(10)13-11/h11H,2-8H2,1H3
InChIKeyJEDVNPVOORTUBO-UHFFFAOYSA-N
XLogP2.84
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
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 ≤ 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

bis(butylperoxy) carbonate
CID 87894849
butoxyperoxycarbonyl butylperoxy carbonate
CID 87090676
azane;hydroxy pentyl carbonate
CID 129188902
octoxyperoxy hydrogen carbonate
CID 23448449
heptoxyperoxyperoxy hydrogen carbonate
CID 19818711
undecylperoxyperoxy hydrogen carbonate
CID 18427254
octadecoxyperoxyperoxyperoxy hydrogen carbonate
CID 162505521
decylperoxyperoxy hydrogen carbonate
CID 22639367
hydroxy pentyl carbonate
CID 19883801
1-butylperoxyperoxynonane
CID 90169675
1-butoxyperoxynonane
CID 90110144
1-(trioxidanylperoxyperoxy)hexadecane
CID 141273447

Frequently Asked Questions

What is the IUPAC name of hydroxy octylperoxy carbonate?
The IUPAC name of hydroxy octylperoxy carbonate (CID 140560938) is hydroxy octylperoxy carbonate.
What is the SMILES notation for hydroxy octylperoxy carbonate?
The canonical SMILES for hydroxy octylperoxy carbonate is CCCCCCCCOOOC(=O)OO.
What is the InChIKey of hydroxy octylperoxy carbonate?
The InChIKey is JEDVNPVOORTUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O6/c1-2-3-4-5-6-7-8-12-15-14-9(10)13-11/h11H,2-8H2,1H3.
What are the key properties of hydroxy octylperoxy carbonate?
hydroxy octylperoxy carbonate has a molecular weight of 222.24 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy octylperoxy carbonate is sourced from PubChem (CID 140560938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).