carbonic acid;diethyl carbonate;ethyl acetate

C10H20O8 — CID 174801545

IUPACcarbonic acid;diethyl carbonate;ethyl acetate
SMILESCCOC(=O)OCC.CCOC(C)=O.O=C(O)O
InChIInChI=1S/C5H10O3.C4H8O2.CH2O3/c1-3-7-5(6)8-4-2;1-3-6-4(2)5;2-1(3)4/h3-4H2,1-2H3;3H2,1-2H3;(H2,2,3,4)
InChIKeyHDYYQYQHSWBBQE-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.97
Rot. Bonds3

About carbonic acid;diethyl carbonate;ethyl acetate

carbonic acid;diethyl carbonate;ethyl acetate (PubChem CID 174801545) has the molecular formula C10H20O8 and a molecular weight of 268.26 g/mol. Its IUPAC name is carbonic acid;diethyl carbonate;ethyl acetate.

Molecular Properties

Compound Namecarbonic acid;diethyl carbonate;ethyl acetate
PubChem CID174801545
Molecular FormulaC10H20O8
Molecular Weight268.26 g/mol
Exact Mass268.12
IUPAC Namecarbonic acid;diethyl carbonate;ethyl acetate
SMILESCCOC(=O)OCC.CCOC(C)=O.O=C(O)O
InChIInChI=1S/C5H10O3.C4H8O2.CH2O3/c1-3-7-5(6)8-4-2;1-3-6-4(2)5;2-1(3)4/h3-4H2,1-2H3;3H2,1-2H3;(H2,2,3,4)
InChIKeyHDYYQYQHSWBBQE-UHFFFAOYSA-N
XLogP1.97
TPSA119.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

azane;carbonic acid;ethyl acetate
CID 175094152
acetic acid;azane;ethyl acetate
CID 25050725
acetic acid;ethyl acetate;hydroiodide
CID 174390773
ethyl acetate;octacontahydrate
CID 173077486
ethyl acetate;pentacontahydrate
CID 173010597
ethyl acetate;λ2-plumbane
CID 173068495
ethyl acetate;hydroiodide
CID 159926796
ethyl acetate;trihydrochloride
CID 141039771
CID 157409555
CID 157409555
ethyl acetate;pentahydrate
CID 173286699
ethyl acetate;octacontahydrate
CID 173010859
ethyl acetate;heptahydrate
CID 173010679

Frequently Asked Questions

What is the IUPAC name of carbonic acid;diethyl carbonate;ethyl acetate?
The IUPAC name of carbonic acid;diethyl carbonate;ethyl acetate (CID 174801545) is carbonic acid;diethyl carbonate;ethyl acetate.
What is the SMILES notation for carbonic acid;diethyl carbonate;ethyl acetate?
The canonical SMILES for carbonic acid;diethyl carbonate;ethyl acetate is CCOC(=O)OCC.CCOC(C)=O.O=C(O)O.
What is the InChIKey of carbonic acid;diethyl carbonate;ethyl acetate?
The InChIKey is HDYYQYQHSWBBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.C4H8O2.CH2O3/c1-3-7-5(6)8-4-2;1-3-6-4(2)5;2-1(3)4/h3-4H2,1-2H3;3H2,1-2H3;(H2,2,3,4).
What are the key properties of carbonic acid;diethyl carbonate;ethyl acetate?
carbonic acid;diethyl carbonate;ethyl acetate has a molecular weight of 268.26 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;diethyl carbonate;ethyl acetate is sourced from PubChem (CID 174801545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).