ethanol;ethyl acetate;N-ethylethanamine;propan-2-one

C13H31NO4 — CID 158913124

IUPACethanol;ethyl acetate;N-ethylethanamine;propan-2-one
SMILESCC(C)=O.CCNCC.CCO.CCOC(C)=O
InChIInChI=1S/C4H11N.C4H8O2.C3H6O.C2H6O/c1-3-5-4-2;1-3-6-4(2)5;1-3(2)4;1-2-3/h5H,3-4H2,1-2H3;3H2,1-2H3;1-2H3;3H,2H2,1H3
InChIKeyJGWZUDBDHQXQMN-UHFFFAOYSA-N
MW265.39 g/mol
LogP1.78
Rot. Bonds3

About ethanol;ethyl acetate;N-ethylethanamine;propan-2-one

ethanol;ethyl acetate;N-ethylethanamine;propan-2-one (PubChem CID 158913124) has the molecular formula C13H31NO4 and a molecular weight of 265.39 g/mol. Its IUPAC name is ethanol;ethyl acetate;N-ethylethanamine;propan-2-one.

Molecular Properties

Compound Nameethanol;ethyl acetate;N-ethylethanamine;propan-2-one
PubChem CID158913124
Molecular FormulaC13H31NO4
Molecular Weight265.39 g/mol
Exact Mass265.23
IUPAC Nameethanol;ethyl acetate;N-ethylethanamine;propan-2-one
SMILESCC(C)=O.CCNCC.CCO.CCOC(C)=O
InChIInChI=1S/C4H11N.C4H8O2.C3H6O.C2H6O/c1-3-5-4-2;1-3-6-4(2)5;1-3(2)4;1-2-3/h5H,3-4H2,1-2H3;3H2,1-2H3;1-2H3;3H,2H2,1H3
InChIKeyJGWZUDBDHQXQMN-UHFFFAOYSA-N
XLogP1.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethanol;ethyl acetate;N-ethylethanamine;propan-2-one?
The IUPAC name of ethanol;ethyl acetate;N-ethylethanamine;propan-2-one (CID 158913124) is ethanol;ethyl acetate;N-ethylethanamine;propan-2-one.
What is the SMILES notation for ethanol;ethyl acetate;N-ethylethanamine;propan-2-one?
The canonical SMILES for ethanol;ethyl acetate;N-ethylethanamine;propan-2-one is CC(C)=O.CCNCC.CCO.CCOC(C)=O.
What is the InChIKey of ethanol;ethyl acetate;N-ethylethanamine;propan-2-one?
The InChIKey is JGWZUDBDHQXQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.C4H8O2.C3H6O.C2H6O/c1-3-5-4-2;1-3-6-4(2)5;1-3(2)4;1-2-3/h5H,3-4H2,1-2H3;3H2,1-2H3;1-2H3;3H,2H2,1H3.
What are the key properties of ethanol;ethyl acetate;N-ethylethanamine;propan-2-one?
ethanol;ethyl acetate;N-ethylethanamine;propan-2-one has a molecular weight of 265.39 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;ethyl acetate;N-ethylethanamine;propan-2-one is sourced from PubChem (CID 158913124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).