hydroxy propaneperoxoate

C3H6O4 — CID 19088296

IUPAChydroxy propaneperoxoate
SMILESCCC(=O)OOO
InChIInChI=1S/C3H6O4/c1-2-3(4)6-7-5/h5H,2H2,1H3
InChIKeyFBLUJWJBFRDRTH-UHFFFAOYSA-N
MW106.08 g/mol
LogP0.34
Rot. Bonds2

About hydroxy propaneperoxoate

hydroxy propaneperoxoate (PubChem CID 19088296) has the molecular formula C3H6O4 and a molecular weight of 106.08 g/mol. Its IUPAC name is hydroxy propaneperoxoate.

Molecular Properties

Compound Namehydroxy propaneperoxoate
PubChem CID19088296
Molecular FormulaC3H6O4
Molecular Weight106.08 g/mol
Exact Mass106.03
IUPAC Namehydroxy propaneperoxoate
SMILESCCC(=O)OOO
InChIInChI=1S/C3H6O4/c1-2-3(4)6-7-5/h5H,2H2,1H3
InChIKeyFBLUJWJBFRDRTH-UHFFFAOYSA-N
XLogP0.34
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.08
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propanoyl (113C)propanoate
CID 91179573
(methylideneamino) propanoate
CID 54043734
dipropanoyl butanedioate
CID 146216618
CID 87773794
CID 87773794
propanoyloxy-λ2-stannane
CID 173456890
methyl propanoate;dihydrochloride
CID 140968159
CID 59894625
CID 59894625
propanoyl dodecaneperoxoate
CID 88596729
hexyl propaneperoxoate
CID 21270826
lithium;hydride;methyl propanoate
CID 174158387
ethyl propanoate;methane
CID 161360642
di(propanoyloxy)alumanyl propanoate
CID 16703977

Frequently Asked Questions

What is the IUPAC name of hydroxy propaneperoxoate?
The IUPAC name of hydroxy propaneperoxoate (CID 19088296) is hydroxy propaneperoxoate.
What is the SMILES notation for hydroxy propaneperoxoate?
The canonical SMILES for hydroxy propaneperoxoate is CCC(=O)OOO.
What is the InChIKey of hydroxy propaneperoxoate?
The InChIKey is FBLUJWJBFRDRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O4/c1-2-3(4)6-7-5/h5H,2H2,1H3.
What are the key properties of hydroxy propaneperoxoate?
hydroxy propaneperoxoate has a molecular weight of 106.08 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy propaneperoxoate is sourced from PubChem (CID 19088296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).