ethyl 7-morpholin-4-ylheptanoate

C13H25NO3 — CID 56691255

IUPACethyl 7-morpholin-4-ylheptanoate
SMILESCCOC(=O)CCCCCCN1CCOCC1
InChIInChI=1S/C13H25NO3/c1-2-17-13(15)7-5-3-4-6-8-14-9-11-16-12-10-14/h2-12H2,1H3
InChIKeyVFZIHPXTYIZGDW-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.83
Rot. Bonds8

About ethyl 7-morpholin-4-ylheptanoate

ethyl 7-morpholin-4-ylheptanoate (PubChem CID 56691255) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is ethyl 7-morpholin-4-ylheptanoate.

Molecular Properties

Compound Nameethyl 7-morpholin-4-ylheptanoate
PubChem CID56691255
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nameethyl 7-morpholin-4-ylheptanoate
SMILESCCOC(=O)CCCCCCN1CCOCC1
InChIInChI=1S/C13H25NO3/c1-2-17-13(15)7-5-3-4-6-8-14-9-11-16-12-10-14/h2-12H2,1H3
InChIKeyVFZIHPXTYIZGDW-UHFFFAOYSA-N
XLogP1.83
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 7-morpholin-4-ylheptanoate;hydrochloride
CID 71385589
2-morpholin-4-ylethyl octanoate
CID 23118480
ethyl 5-(azetidin-1-yl)pentanoate
CID 166535323
ethyl 7-piperazin-1-ylheptanoate
CID 21477471
morpholin-4-ylmethyl hexadecanoate
CID 86303252
ethyl 5-(1,3,5-dioxazinan-5-yl)pentanoate
CID 11820653
ethyl 4-piperidin-1-ylbutanoate
CID 14044356
tetradecyl 3-morpholin-4-ylpropanoate
CID 59204007
[2-(5-morpholin-4-ylpentanoyloxymethyl)-3-[(Z)-tetradec-9-enoyl]oxy-2-[[(Z)-tetradec-9-enoyl]oxymethyl]propyl] (Z)-tetradec-9-enoate
CID 172948371
diethyl icosanedioate
CID 5058538
ethyl 6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]hexanoate
CID 79827518
ethyl 5-[2-(morpholin-4-ylmethyl)imidazol-1-yl]pentanoate
CID 167876752

Frequently Asked Questions

What is the IUPAC name of ethyl 7-morpholin-4-ylheptanoate?
The IUPAC name of ethyl 7-morpholin-4-ylheptanoate (CID 56691255) is ethyl 7-morpholin-4-ylheptanoate.
What is the SMILES notation for ethyl 7-morpholin-4-ylheptanoate?
The canonical SMILES for ethyl 7-morpholin-4-ylheptanoate is CCOC(=O)CCCCCCN1CCOCC1.
What is the InChIKey of ethyl 7-morpholin-4-ylheptanoate?
The InChIKey is VFZIHPXTYIZGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-2-17-13(15)7-5-3-4-6-8-14-9-11-16-12-10-14/h2-12H2,1H3.
What are the key properties of ethyl 7-morpholin-4-ylheptanoate?
ethyl 7-morpholin-4-ylheptanoate has a molecular weight of 243.35 g/mol, XLogP of 1.83, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-morpholin-4-ylheptanoate is sourced from PubChem (CID 56691255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).