ethyl 5-methoxy-3,5-dimethyl-3-morpholin-4-ylhexanoate

C15H29NO4 — CID 64528974

IUPACethyl 5-methoxy-3,5-dimethyl-3-morpholin-4-ylhexanoate
SMILESCCOC(=O)CC(C)(CC(C)(C)OC)N1CCOCC1
InChIInChI=1S/C15H29NO4/c1-6-20-13(17)11-15(4,12-14(2,3)18-5)16-7-9-19-10-8-16/h6-12H2,1-5H3
InChIKeyPLVVMPAWRLKTIN-UHFFFAOYSA-N
MW287.40 g/mol
LogP1.85
Rot. Bonds7

About ethyl 5-methoxy-3,5-dimethyl-3-morpholin-4-ylhexanoate

ethyl 5-methoxy-3,5-dimethyl-3-morpholin-4-ylhexanoate (PubChem CID 64528974) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is ethyl 5-methoxy-3,5-dimethyl-3-morpholin-4-ylhexanoate.

Molecular Properties

Compound Nameethyl 5-methoxy-3,5-dimethyl-3-morpholin-4-ylhexanoate
PubChem CID64528974
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Nameethyl 5-methoxy-3,5-dimethyl-3-morpholin-4-ylhexanoate
SMILESCCOC(=O)CC(C)(CC(C)(C)OC)N1CCOCC1
InChIInChI=1S/C15H29NO4/c1-6-20-13(17)11-15(4,12-14(2,3)18-5)16-7-9-19-10-8-16/h6-12H2,1-5H3
InChIKeyPLVVMPAWRLKTIN-UHFFFAOYSA-N
XLogP1.85
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methoxy-3,5-dimethyl-3-morpholin-4-ylhexanoate?
The IUPAC name of ethyl 5-methoxy-3,5-dimethyl-3-morpholin-4-ylhexanoate (CID 64528974) is ethyl 5-methoxy-3,5-dimethyl-3-morpholin-4-ylhexanoate.
What is the SMILES notation for ethyl 5-methoxy-3,5-dimethyl-3-morpholin-4-ylhexanoate?
The canonical SMILES for ethyl 5-methoxy-3,5-dimethyl-3-morpholin-4-ylhexanoate is CCOC(=O)CC(C)(CC(C)(C)OC)N1CCOCC1.
What is the InChIKey of ethyl 5-methoxy-3,5-dimethyl-3-morpholin-4-ylhexanoate?
The InChIKey is PLVVMPAWRLKTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4/c1-6-20-13(17)11-15(4,12-14(2,3)18-5)16-7-9-19-10-8-16/h6-12H2,1-5H3.
What are the key properties of ethyl 5-methoxy-3,5-dimethyl-3-morpholin-4-ylhexanoate?
ethyl 5-methoxy-3,5-dimethyl-3-morpholin-4-ylhexanoate has a molecular weight of 287.40 g/mol, XLogP of 1.85, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methoxy-3,5-dimethyl-3-morpholin-4-ylhexanoate is sourced from PubChem (CID 64528974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).