carboxy methoxycarbonyl carbonate;methyl hydrogen carbonate

C6H8O10 — CID 161330226

IUPACcarboxy methoxycarbonyl carbonate;methyl hydrogen carbonate
SMILESCOC(=O)O.COC(=O)OC(=O)OC(=O)O
InChIInChI=1S/C4H4O7.C2H4O3/c1-9-3(7)11-4(8)10-2(5)6;1-5-2(3)4/h1H3,(H,5,6);1H3,(H,3,4)
InChIKeyVLHXRPPFCVLHTL-UHFFFAOYSA-N
MW240.12 g/mol
LogP0.89
Rot. Bonds

About carboxy methoxycarbonyl carbonate;methyl hydrogen carbonate

carboxy methoxycarbonyl carbonate;methyl hydrogen carbonate (PubChem CID 161330226) has the molecular formula C6H8O10 and a molecular weight of 240.12 g/mol. Its IUPAC name is carboxy methoxycarbonyl carbonate;methyl hydrogen carbonate.

Molecular Properties

Compound Namecarboxy methoxycarbonyl carbonate;methyl hydrogen carbonate
PubChem CID161330226
Molecular FormulaC6H8O10
Molecular Weight240.12 g/mol
Exact Mass240.01
IUPAC Namecarboxy methoxycarbonyl carbonate;methyl hydrogen carbonate
SMILESCOC(=O)O.COC(=O)OC(=O)OC(=O)O
InChIInChI=1S/C4H4O7.C2H4O3/c1-9-3(7)11-4(8)10-2(5)6;1-5-2(3)4/h1H3,(H,5,6);1H3,(H,3,4)
InChIKeyVLHXRPPFCVLHTL-UHFFFAOYSA-N
XLogP0.89
TPSA145.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.12
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carboxy methoxycarbonyl carbonate;methyl hydrogen carbonate?
The IUPAC name of carboxy methoxycarbonyl carbonate;methyl hydrogen carbonate (CID 161330226) is carboxy methoxycarbonyl carbonate;methyl hydrogen carbonate.
What is the SMILES notation for carboxy methoxycarbonyl carbonate;methyl hydrogen carbonate?
The canonical SMILES for carboxy methoxycarbonyl carbonate;methyl hydrogen carbonate is COC(=O)O.COC(=O)OC(=O)OC(=O)O.
What is the InChIKey of carboxy methoxycarbonyl carbonate;methyl hydrogen carbonate?
The InChIKey is VLHXRPPFCVLHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O7.C2H4O3/c1-9-3(7)11-4(8)10-2(5)6;1-5-2(3)4/h1H3,(H,5,6);1H3,(H,3,4).
What are the key properties of carboxy methoxycarbonyl carbonate;methyl hydrogen carbonate?
carboxy methoxycarbonyl carbonate;methyl hydrogen carbonate has a molecular weight of 240.12 g/mol, XLogP of 0.89, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for carboxy methoxycarbonyl carbonate;methyl hydrogen carbonate is sourced from PubChem (CID 161330226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).