ethyl acetate;ethyl hydrogen carbonate;propan-2-ol

C10H22O6 — CID 87097061

IUPACethyl acetate;ethyl hydrogen carbonate;propan-2-ol
SMILESCC(C)O.CCOC(=O)O.CCOC(C)=O
InChIInChI=1S/C4H8O2.C3H6O3.C3H8O/c1-3-6-4(2)5;1-2-6-3(4)5;1-3(2)4/h3H2,1-2H3;2H2,1H3,(H,4,5);3-4H,1-2H3
InChIKeyXFAQWFYBMIUNGX-UHFFFAOYSA-N
MW238.28 g/mol
LogP1.66
Rot. Bonds2

About ethyl acetate;ethyl hydrogen carbonate;propan-2-ol

ethyl acetate;ethyl hydrogen carbonate;propan-2-ol (PubChem CID 87097061) has the molecular formula C10H22O6 and a molecular weight of 238.28 g/mol. Its IUPAC name is ethyl acetate;ethyl hydrogen carbonate;propan-2-ol.

Molecular Properties

Compound Nameethyl acetate;ethyl hydrogen carbonate;propan-2-ol
PubChem CID87097061
Molecular FormulaC10H22O6
Molecular Weight238.28 g/mol
Exact Mass238.14
IUPAC Nameethyl acetate;ethyl hydrogen carbonate;propan-2-ol
SMILESCC(C)O.CCOC(=O)O.CCOC(C)=O
InChIInChI=1S/C4H8O2.C3H6O3.C3H8O/c1-3-6-4(2)5;1-2-6-3(4)5;1-3(2)4/h3H2,1-2H3;2H2,1H3,(H,4,5);3-4H,1-2H3
InChIKeyXFAQWFYBMIUNGX-UHFFFAOYSA-N
XLogP1.66
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl acetate;ethyl hydrogen carbonate;propan-2-ol?
The IUPAC name of ethyl acetate;ethyl hydrogen carbonate;propan-2-ol (CID 87097061) is ethyl acetate;ethyl hydrogen carbonate;propan-2-ol.
What is the SMILES notation for ethyl acetate;ethyl hydrogen carbonate;propan-2-ol?
The canonical SMILES for ethyl acetate;ethyl hydrogen carbonate;propan-2-ol is CC(C)O.CCOC(=O)O.CCOC(C)=O.
What is the InChIKey of ethyl acetate;ethyl hydrogen carbonate;propan-2-ol?
The InChIKey is XFAQWFYBMIUNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C3H6O3.C3H8O/c1-3-6-4(2)5;1-2-6-3(4)5;1-3(2)4/h3H2,1-2H3;2H2,1H3,(H,4,5);3-4H,1-2H3.
What are the key properties of ethyl acetate;ethyl hydrogen carbonate;propan-2-ol?
ethyl acetate;ethyl hydrogen carbonate;propan-2-ol has a molecular weight of 238.28 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl acetate;ethyl hydrogen carbonate;propan-2-ol is sourced from PubChem (CID 87097061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).