ethoxy ethoxycarbonyl carbonate

C6H10O6 — CID 87452228

IUPACethoxy ethoxycarbonyl carbonate
SMILESCCOOC(=O)OC(=O)OCC
InChIInChI=1S/C6H10O6/c1-3-9-5(7)11-6(8)12-10-4-2/h3-4H2,1-2H3
InChIKeyGYSBLMPDMJKYOY-UHFFFAOYSA-N
MW178.14 g/mol
LogP1.25
Rot. Bonds3

About ethoxy ethoxycarbonyl carbonate

ethoxy ethoxycarbonyl carbonate (PubChem CID 87452228) has the molecular formula C6H10O6 and a molecular weight of 178.14 g/mol. Its IUPAC name is ethoxy ethoxycarbonyl carbonate.

Molecular Properties

Compound Nameethoxy ethoxycarbonyl carbonate
PubChem CID87452228
Molecular FormulaC6H10O6
Molecular Weight178.14 g/mol
Exact Mass178.05
IUPAC Nameethoxy ethoxycarbonyl carbonate
SMILESCCOOC(=O)OC(=O)OCC
InChIInChI=1S/C6H10O6/c1-3-9-5(7)11-6(8)12-10-4-2/h3-4H2,1-2H3
InChIKeyGYSBLMPDMJKYOY-UHFFFAOYSA-N
XLogP1.25
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethoxy ethoxycarbonyl carbonate?
The IUPAC name of ethoxy ethoxycarbonyl carbonate (CID 87452228) is ethoxy ethoxycarbonyl carbonate.
What is the SMILES notation for ethoxy ethoxycarbonyl carbonate?
The canonical SMILES for ethoxy ethoxycarbonyl carbonate is CCOOC(=O)OC(=O)OCC.
What is the InChIKey of ethoxy ethoxycarbonyl carbonate?
The InChIKey is GYSBLMPDMJKYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O6/c1-3-9-5(7)11-6(8)12-10-4-2/h3-4H2,1-2H3.
What are the key properties of ethoxy ethoxycarbonyl carbonate?
ethoxy ethoxycarbonyl carbonate has a molecular weight of 178.14 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy ethoxycarbonyl carbonate is sourced from PubChem (CID 87452228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).