ethyl acetate;4-propylmorpholine

C11H23NO3 — CID 160534633

IUPACethyl acetate;4-propylmorpholine
SMILESCCCN1CCOCC1.CCOC(C)=O
InChIInChI=1S/C7H15NO.C4H8O2/c1-2-3-8-4-6-9-7-5-8;1-3-6-4(2)5/h2-7H2,1H3;3H2,1-2H3
InChIKeyQVZKBFMBZUQCBL-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.30
Rot. Bonds3

About ethyl acetate;4-propylmorpholine

ethyl acetate;4-propylmorpholine (PubChem CID 160534633) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is ethyl acetate;4-propylmorpholine.

Molecular Properties

Compound Nameethyl acetate;4-propylmorpholine
PubChem CID160534633
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nameethyl acetate;4-propylmorpholine
SMILESCCCN1CCOCC1.CCOC(C)=O
InChIInChI=1S/C7H15NO.C4H8O2/c1-2-3-8-4-6-9-7-5-8;1-3-6-4(2)5/h2-7H2,1H3;3H2,1-2H3
InChIKeyQVZKBFMBZUQCBL-UHFFFAOYSA-N
XLogP1.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxycarbonyl-4-morpholin-4-ylbutanoic acid
CID 103973536
4-propylmorpholine;hydrobromide
CID 70540609
16-propyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71337150
ethane;4-propylmorpholine
CID 143004992
ethyl 2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propanoate;hydrobromide
CID 160558993
ethyl (2S)-2-amino-3-morpholin-4-ylpropanoate
CID 70159679
CID 68598978
CID 68598978
ethyl 7-morpholin-4-ylheptanoate
CID 56691255
ethyl 2-amino-4-(1,4-oxazepan-4-yl)butanoate
CID 63054023
[(2S)-2-hydroxy-3-morpholin-4-ylpropyl] acetate
CID 71177850
ethyl 7-morpholin-4-ylheptanoate;hydrochloride
CID 71385589
ethyl (2R)-2-[methyl(2-morpholin-4-ylethyl)amino]propanoate
CID 95623746

Frequently Asked Questions

What is the IUPAC name of ethyl acetate;4-propylmorpholine?
The IUPAC name of ethyl acetate;4-propylmorpholine (CID 160534633) is ethyl acetate;4-propylmorpholine.
What is the SMILES notation for ethyl acetate;4-propylmorpholine?
The canonical SMILES for ethyl acetate;4-propylmorpholine is CCCN1CCOCC1.CCOC(C)=O.
What is the InChIKey of ethyl acetate;4-propylmorpholine?
The InChIKey is QVZKBFMBZUQCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C4H8O2/c1-2-3-8-4-6-9-7-5-8;1-3-6-4(2)5/h2-7H2,1H3;3H2,1-2H3.
What are the key properties of ethyl acetate;4-propylmorpholine?
ethyl acetate;4-propylmorpholine has a molecular weight of 217.31 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl acetate;4-propylmorpholine is sourced from PubChem (CID 160534633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).