ethoxycarbonyl ethyl carbonate

C6H10O5 — CID 3051

IUPACethoxycarbonyl ethyl carbonate
SMILESCCOC(=O)OC(=O)OCC
InChIInChI=1S/C6H10O5/c1-3-9-5(7)11-6(8)10-4-2/h3-4H2,1-2H3
InChIKeyFFYPMLJYZAEMQB-UHFFFAOYSA-N
MW162.14 g/mol
LogP1.32
Rot. Bonds2

About ethoxycarbonyl ethyl carbonate

ethoxycarbonyl ethyl carbonate (PubChem CID 3051) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is ethoxycarbonyl ethyl carbonate.

Molecular Properties

Compound Nameethoxycarbonyl ethyl carbonate
PubChem CID3051
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Nameethoxycarbonyl ethyl carbonate
SMILESCCOC(=O)OC(=O)OCC
InChIInChI=1S/C6H10O5/c1-3-9-5(7)11-6(8)10-4-2/h3-4H2,1-2H3
InChIKeyFFYPMLJYZAEMQB-UHFFFAOYSA-N
XLogP1.32
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethoxycarbonyl ethyl carbonate?
The IUPAC name of ethoxycarbonyl ethyl carbonate (CID 3051) is ethoxycarbonyl ethyl carbonate.
What is the SMILES notation for ethoxycarbonyl ethyl carbonate?
The canonical SMILES for ethoxycarbonyl ethyl carbonate is CCOC(=O)OC(=O)OCC.
What is the InChIKey of ethoxycarbonyl ethyl carbonate?
The InChIKey is FFYPMLJYZAEMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O5/c1-3-9-5(7)11-6(8)10-4-2/h3-4H2,1-2H3.
What are the key properties of ethoxycarbonyl ethyl carbonate?
ethoxycarbonyl ethyl carbonate has a molecular weight of 162.14 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxycarbonyl ethyl carbonate is sourced from PubChem (CID 3051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).