dimethoxymethane;3-prop-2-enylperoxypropane-1,2-diol

C9H20O6 — CID 174423077

IUPACdimethoxymethane;3-prop-2-enylperoxypropane-1,2-diol
SMILESC=CCOOCC(O)CO.COCOC
InChIInChI=1S/C6H12O4.C3H8O2/c1-2-3-9-10-5-6(8)4-7;1-4-3-5-2/h2,6-8H,1,3-5H2;3H2,1-2H3
InChIKeyKDTSZYDXBKUHSO-UHFFFAOYSA-N
MW224.25 g/mol
LogP-0.29
Rot. Bonds8

About dimethoxymethane;3-prop-2-enylperoxypropane-1,2-diol

dimethoxymethane;3-prop-2-enylperoxypropane-1,2-diol (PubChem CID 174423077) has the molecular formula C9H20O6 and a molecular weight of 224.25 g/mol. Its IUPAC name is dimethoxymethane;3-prop-2-enylperoxypropane-1,2-diol.

Molecular Properties

Compound Namedimethoxymethane;3-prop-2-enylperoxypropane-1,2-diol
PubChem CID174423077
Molecular FormulaC9H20O6
Molecular Weight224.25 g/mol
Exact Mass224.13
IUPAC Namedimethoxymethane;3-prop-2-enylperoxypropane-1,2-diol
SMILESC=CCOOCC(O)CO.COCOC
InChIInChI=1S/C6H12O4.C3H8O2/c1-2-3-9-10-5-6(8)4-7;1-4-3-5-2/h2,6-8H,1,3-5H2;3H2,1-2H3
InChIKeyKDTSZYDXBKUHSO-UHFFFAOYSA-N
XLogP-0.29
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

methane;3-prop-2-enoxypropane-1,2-diol
CID 174709121
3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propane-1,2-diol
CID 54120900
3-methoxypropane-1,2-diol;dihydrochloride
CID 87908148
3-propylperoxypropane-1,2-diol
CID 87234101
3-(2-methylbut-3-en-2-yloxy)propane-1,2-diol
CID 171441788
methane;methoxymethanol;3-methoxypropane-1,2-diol
CID 159796691
3-[4-(2,3-dihydroxypropylperoxy)butylperoxy]propane-1,2-diol
CID 174669486
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane-1,2-diol
CID 88556608
bis(phosphoryl trichloride);3-prop-2-enoxypropane-1,2-diol
CID 174422738
2,3-dihydroxypropoxy-dimethyl-prop-2-enylazanium
CID 87816797
sodium;hydride;propane-1,2,3-triol;3-prop-2-enoxyprop-1-ene
CID 173191525
3-[1,1-bis(trimethylsilyl)prop-2-enoxy]propane-1,2-diol
CID 87616479

Frequently Asked Questions

What is the IUPAC name of dimethoxymethane;3-prop-2-enylperoxypropane-1,2-diol?
The IUPAC name of dimethoxymethane;3-prop-2-enylperoxypropane-1,2-diol (CID 174423077) is dimethoxymethane;3-prop-2-enylperoxypropane-1,2-diol.
What is the SMILES notation for dimethoxymethane;3-prop-2-enylperoxypropane-1,2-diol?
The canonical SMILES for dimethoxymethane;3-prop-2-enylperoxypropane-1,2-diol is C=CCOOCC(O)CO.COCOC.
What is the InChIKey of dimethoxymethane;3-prop-2-enylperoxypropane-1,2-diol?
The InChIKey is KDTSZYDXBKUHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4.C3H8O2/c1-2-3-9-10-5-6(8)4-7;1-4-3-5-2/h2,6-8H,1,3-5H2;3H2,1-2H3.
What are the key properties of dimethoxymethane;3-prop-2-enylperoxypropane-1,2-diol?
dimethoxymethane;3-prop-2-enylperoxypropane-1,2-diol has a molecular weight of 224.25 g/mol, XLogP of -0.29, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxymethane;3-prop-2-enylperoxypropane-1,2-diol is sourced from PubChem (CID 174423077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).