acetic acid;4-ethylmorpholine

C8H17NO3 — CID 22472381

IUPACacetic acid;4-ethylmorpholine
SMILESCC(=O)O.CCN1CCOCC1
InChIInChI=1S/C6H13NO.C2H4O2/c1-2-7-3-5-8-6-4-7;1-2(3)4/h2-6H2,1H3;1H3,(H,3,4)
InChIKeyHPGXYQZKIMWRAM-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.43
Rot. Bonds1

About acetic acid;4-ethylmorpholine

acetic acid;4-ethylmorpholine (PubChem CID 22472381) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is acetic acid;4-ethylmorpholine.

Molecular Properties

Compound Nameacetic acid;4-ethylmorpholine
PubChem CID22472381
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Nameacetic acid;4-ethylmorpholine
SMILESCC(=O)O.CCN1CCOCC1
InChIInChI=1S/C6H13NO.C2H4O2/c1-2-7-3-5-8-6-4-7;1-2(3)4/h2-6H2,1H3;1H3,(H,3,4)
InChIKeyHPGXYQZKIMWRAM-UHFFFAOYSA-N
XLogP0.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of acetic acid;4-ethylmorpholine?
The IUPAC name of acetic acid;4-ethylmorpholine (CID 22472381) is acetic acid;4-ethylmorpholine.
What is the SMILES notation for acetic acid;4-ethylmorpholine?
The canonical SMILES for acetic acid;4-ethylmorpholine is CC(=O)O.CCN1CCOCC1.
What is the InChIKey of acetic acid;4-ethylmorpholine?
The InChIKey is HPGXYQZKIMWRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C2H4O2/c1-2-7-3-5-8-6-4-7;1-2(3)4/h2-6H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;4-ethylmorpholine?
acetic acid;4-ethylmorpholine has a molecular weight of 175.23 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;4-ethylmorpholine is sourced from PubChem (CID 22472381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).