butanoic acid;ethanol;N-ethylethanamine;propan-2-one

C13H31NO4 — CID 173414120

IUPACbutanoic acid;ethanol;N-ethylethanamine;propan-2-one
SMILESCC(C)=O.CCCC(=O)O.CCNCC.CCO
InChIInChI=1S/C4H11N.C4H8O2.C3H6O.C2H6O/c1-3-5-4-2;1-2-3-4(5)6;1-3(2)4;1-2-3/h5H,3-4H2,1-2H3;2-3H2,1H3,(H,5,6);1-2H3;3H,2H2,1H3
InChIKeyBOWUTMBJFUSDKT-UHFFFAOYSA-N
MW265.39 g/mol
LogP2.08
Rot. Bonds4

About butanoic acid;ethanol;N-ethylethanamine;propan-2-one

butanoic acid;ethanol;N-ethylethanamine;propan-2-one (PubChem CID 173414120) has the molecular formula C13H31NO4 and a molecular weight of 265.39 g/mol. Its IUPAC name is butanoic acid;ethanol;N-ethylethanamine;propan-2-one.

Molecular Properties

Compound Namebutanoic acid;ethanol;N-ethylethanamine;propan-2-one
PubChem CID173414120
Molecular FormulaC13H31NO4
Molecular Weight265.39 g/mol
Exact Mass265.23
IUPAC Namebutanoic acid;ethanol;N-ethylethanamine;propan-2-one
SMILESCC(C)=O.CCCC(=O)O.CCNCC.CCO
InChIInChI=1S/C4H11N.C4H8O2.C3H6O.C2H6O/c1-3-5-4-2;1-2-3-4(5)6;1-3(2)4;1-2-3/h5H,3-4H2,1-2H3;2-3H2,1H3,(H,5,6);1-2H3;3H,2H2,1H3
InChIKeyBOWUTMBJFUSDKT-UHFFFAOYSA-N
XLogP2.08
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 87533224
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CID 158263120
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CID 87059277
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CID 87090666
butanoic acid;copper
CID 57425269
CID 87408506
CID 87408506
butanoic acid;dihydrochloride
CID 173423767
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CID 88777452
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CID 172757824

Frequently Asked Questions

What is the IUPAC name of butanoic acid;ethanol;N-ethylethanamine;propan-2-one?
The IUPAC name of butanoic acid;ethanol;N-ethylethanamine;propan-2-one (CID 173414120) is butanoic acid;ethanol;N-ethylethanamine;propan-2-one.
What is the SMILES notation for butanoic acid;ethanol;N-ethylethanamine;propan-2-one?
The canonical SMILES for butanoic acid;ethanol;N-ethylethanamine;propan-2-one is CC(C)=O.CCCC(=O)O.CCNCC.CCO.
What is the InChIKey of butanoic acid;ethanol;N-ethylethanamine;propan-2-one?
The InChIKey is BOWUTMBJFUSDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.C4H8O2.C3H6O.C2H6O/c1-3-5-4-2;1-2-3-4(5)6;1-3(2)4;1-2-3/h5H,3-4H2,1-2H3;2-3H2,1H3,(H,5,6);1-2H3;3H,2H2,1H3.
What are the key properties of butanoic acid;ethanol;N-ethylethanamine;propan-2-one?
butanoic acid;ethanol;N-ethylethanamine;propan-2-one has a molecular weight of 265.39 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butanoic acid;ethanol;N-ethylethanamine;propan-2-one is sourced from PubChem (CID 173414120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).