methyl 2-(4-tert-butyl-1-morpholin-4-ylcyclohexyl)acetate

C17H31NO3 — CID 102054635

IUPACmethyl 2-(4-tert-butyl-1-morpholin-4-ylcyclohexyl)acetate
SMILESCOC(=O)CC1(N2CCOCC2)CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H31NO3/c1-16(2,3)14-5-7-17(8-6-14,13-15(19)20-4)18-9-11-21-12-10-18/h14H,5-13H2,1-4H3
InChIKeyMAKBNYQPSOFQGL-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.86
Rot. Bonds3

About methyl 2-(4-tert-butyl-1-morpholin-4-ylcyclohexyl)acetate

methyl 2-(4-tert-butyl-1-morpholin-4-ylcyclohexyl)acetate (PubChem CID 102054635) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is methyl 2-(4-tert-butyl-1-morpholin-4-ylcyclohexyl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-tert-butyl-1-morpholin-4-ylcyclohexyl)acetate
PubChem CID102054635
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Namemethyl 2-(4-tert-butyl-1-morpholin-4-ylcyclohexyl)acetate
SMILESCOC(=O)CC1(N2CCOCC2)CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H31NO3/c1-16(2,3)14-5-7-17(8-6-14,13-15(19)20-4)18-9-11-21-12-10-18/h14H,5-13H2,1-4H3
InChIKeyMAKBNYQPSOFQGL-UHFFFAOYSA-N
XLogP2.86
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-tert-butyl-1-morpholin-4-ylcyclohexyl)acetate?
The IUPAC name of methyl 2-(4-tert-butyl-1-morpholin-4-ylcyclohexyl)acetate (CID 102054635) is methyl 2-(4-tert-butyl-1-morpholin-4-ylcyclohexyl)acetate.
What is the SMILES notation for methyl 2-(4-tert-butyl-1-morpholin-4-ylcyclohexyl)acetate?
The canonical SMILES for methyl 2-(4-tert-butyl-1-morpholin-4-ylcyclohexyl)acetate is COC(=O)CC1(N2CCOCC2)CCC(C(C)(C)C)CC1.
What is the InChIKey of methyl 2-(4-tert-butyl-1-morpholin-4-ylcyclohexyl)acetate?
The InChIKey is MAKBNYQPSOFQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-16(2,3)14-5-7-17(8-6-14,13-15(19)20-4)18-9-11-21-12-10-18/h14H,5-13H2,1-4H3.
What are the key properties of methyl 2-(4-tert-butyl-1-morpholin-4-ylcyclohexyl)acetate?
methyl 2-(4-tert-butyl-1-morpholin-4-ylcyclohexyl)acetate has a molecular weight of 297.44 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-tert-butyl-1-morpholin-4-ylcyclohexyl)acetate is sourced from PubChem (CID 102054635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).