hydroxy methyl carbonate

C4H8O8 — CID 158464551

IUPAChydroxy methyl carbonate
SMILESCOC(=O)OO.COC(=O)OO
InChIInChI=1S/2C2H4O4/c2*1-5-2(3)6-4/h2*4H,1H3
InChIKeyHFPBCEPGRKRDMM-UHFFFAOYSA-N
MW184.10 g/mol
LogP0.48
Rot. Bonds

About hydroxy methyl carbonate

hydroxy methyl carbonate (PubChem CID 158464551) has the molecular formula C4H8O8 and a molecular weight of 184.10 g/mol. Its IUPAC name is hydroxy methyl carbonate.

Molecular Properties

Compound Namehydroxy methyl carbonate
PubChem CID158464551
Molecular FormulaC4H8O8
Molecular Weight184.10 g/mol
Exact Mass184.02
IUPAC Namehydroxy methyl carbonate
SMILESCOC(=O)OO.COC(=O)OO
InChIInChI=1S/2C2H4O4/c2*1-5-2(3)6-4/h2*4H,1H3
InChIKeyHFPBCEPGRKRDMM-UHFFFAOYSA-N
XLogP0.48
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.10
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

Bismuth methyl carbonate
CID 129738069
Carbonoperoxoyl methoxycarbonyloxycarbonyl carbonate
CID 20294215
Carbonic acid;methylperoxymethane
CID 23448344
Carboxy hydrogen carbonate;methylperoxymethane
CID 88059690
Methoxycarbonyl methyl carbonate;hydrate
CID 142737158
Methoxymethoxy methyl carbonate
CID 150539650
Methoxycarbonyloxyperoxy methyl carbonate
CID 153850457
Dimethyl carbonate;hydrogen peroxide
CID 158274334
CID 158433300
CID 158433300
Carboxy hydrogen carbonate;dimethyl carbonate
CID 159834491
Dimagnesium;carbon dioxide;methanolate;methyl carbonate;dihydroxide
CID 161074287
Carboxy methoxycarbonyl carbonate;methyl hydrogen carbonate
CID 161330226

Frequently Asked Questions

What is the IUPAC name of hydroxy methyl carbonate?
The IUPAC name of hydroxy methyl carbonate (CID 158464551) is hydroxy methyl carbonate.
What is the SMILES notation for hydroxy methyl carbonate?
The canonical SMILES for hydroxy methyl carbonate is COC(=O)OO.COC(=O)OO.
What is the InChIKey of hydroxy methyl carbonate?
The InChIKey is HFPBCEPGRKRDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H4O4/c2*1-5-2(3)6-4/h2*4H,1H3.
What are the key properties of hydroxy methyl carbonate?
hydroxy methyl carbonate has a molecular weight of 184.10 g/mol, XLogP of 0.48, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy methyl carbonate is sourced from PubChem (CID 158464551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).