2-hydroxypropyl acetate;methoxyperoxymethane

C7H16O6 — CID 87580480

IUPAC2-hydroxypropyl acetate;methoxyperoxymethane
SMILESCC(=O)OCC(C)O.COOOC
InChIInChI=1S/C5H10O3.C2H6O3/c1-4(6)3-8-5(2)7;1-3-5-4-2/h4,6H,3H2,1-2H3;1-2H3
InChIKeyAWSXYGQKMDMBTA-UHFFFAOYSA-N
MW196.20 g/mol
LogP0.06
Rot. Bonds4

About 2-hydroxypropyl acetate;methoxyperoxymethane

2-hydroxypropyl acetate;methoxyperoxymethane (PubChem CID 87580480) has the molecular formula C7H16O6 and a molecular weight of 196.20 g/mol. Its IUPAC name is 2-hydroxypropyl acetate;methoxyperoxymethane.

Molecular Properties

Compound Name2-hydroxypropyl acetate;methoxyperoxymethane
PubChem CID87580480
Molecular FormulaC7H16O6
Molecular Weight196.20 g/mol
Exact Mass196.09
IUPAC Name2-hydroxypropyl acetate;methoxyperoxymethane
SMILESCC(=O)OCC(C)O.COOOC
InChIInChI=1S/C5H10O3.C2H6O3/c1-4(6)3-8-5(2)7;1-3-5-4-2/h4,6H,3H2,1-2H3;1-2H3
InChIKeyAWSXYGQKMDMBTA-UHFFFAOYSA-N
XLogP0.06
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-hydroxypropyl acetate;mercury
CID 174858394
ethanol;2-hydroxypropyl acetate
CID 88717262
N,N-dimethylmethanamine;2-hydroxypropyl acetate;hydrochloride
CID 173444949
2-[2-(2-hydroxypropoxy)propoxy]propyl acetate
CID 87518170
2-methylpropyl acetate;hydrate
CID 86585368
2-acetyloxypropyl acetate;propan-2-one
CID 159489239
hexakis(2-hydroxypropyl methyl carbonate);methane;hexakis(yttrium)
CID 157481977
(5-acetyloxy-2,4-dimethylpentyl) acetate
CID 22951898
[(2R,4R)-5-acetyloxy-2,4-dimethylpentyl] acetate
CID 10680239
bis(butan-2-ol);ethyl acetate
CID 139558654
[(2R,3S,4S,5S)-6-acetyloxy-2,3,4,5-tetrahydroxyhexyl] acetate
CID 102116245
2-chloropropyl acetate
CID 527885

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropyl acetate;methoxyperoxymethane?
The IUPAC name of 2-hydroxypropyl acetate;methoxyperoxymethane (CID 87580480) is 2-hydroxypropyl acetate;methoxyperoxymethane.
What is the SMILES notation for 2-hydroxypropyl acetate;methoxyperoxymethane?
The canonical SMILES for 2-hydroxypropyl acetate;methoxyperoxymethane is CC(=O)OCC(C)O.COOOC.
What is the InChIKey of 2-hydroxypropyl acetate;methoxyperoxymethane?
The InChIKey is AWSXYGQKMDMBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.C2H6O3/c1-4(6)3-8-5(2)7;1-3-5-4-2/h4,6H,3H2,1-2H3;1-2H3.
What are the key properties of 2-hydroxypropyl acetate;methoxyperoxymethane?
2-hydroxypropyl acetate;methoxyperoxymethane has a molecular weight of 196.20 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropyl acetate;methoxyperoxymethane is sourced from PubChem (CID 87580480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).