tert-butyl 2-(2-cyclohexylethyl)-5-(hydroxymethyl)morpholine-4-carboxylate

C18H33NO4 — CID 68559670

IUPACtert-butyl 2-(2-cyclohexylethyl)-5-(hydroxymethyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(CCC2CCCCC2)OCC1CO
InChIInChI=1S/C18H33NO4/c1-18(2,3)23-17(21)19-11-16(22-13-15(19)12-20)10-9-14-7-5-4-6-8-14/h14-16,20H,4-13H2,1-3H3
InChIKeyVXQXVKOYNUMAGG-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.34
Rot. Bonds4

About tert-butyl 2-(2-cyclohexylethyl)-5-(hydroxymethyl)morpholine-4-carboxylate

tert-butyl 2-(2-cyclohexylethyl)-5-(hydroxymethyl)morpholine-4-carboxylate (PubChem CID 68559670) has the molecular formula C18H33NO4 and a molecular weight of 327.47 g/mol. Its IUPAC name is tert-butyl 2-(2-cyclohexylethyl)-5-(hydroxymethyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-cyclohexylethyl)-5-(hydroxymethyl)morpholine-4-carboxylate
PubChem CID68559670
Molecular FormulaC18H33NO4
Molecular Weight327.47 g/mol
Exact Mass327.24
IUPAC Nametert-butyl 2-(2-cyclohexylethyl)-5-(hydroxymethyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(CCC2CCCCC2)OCC1CO
InChIInChI=1S/C18H33NO4/c1-18(2,3)23-17(21)19-11-16(22-13-15(19)12-20)10-9-14-7-5-4-6-8-14/h14-16,20H,4-13H2,1-3H3
InChIKeyVXQXVKOYNUMAGG-UHFFFAOYSA-N
XLogP3.34
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-cyclohexylethyl)-5-(hydroxymethyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-(2-cyclohexylethyl)-5-(hydroxymethyl)morpholine-4-carboxylate (CID 68559670) is tert-butyl 2-(2-cyclohexylethyl)-5-(hydroxymethyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-cyclohexylethyl)-5-(hydroxymethyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-(2-cyclohexylethyl)-5-(hydroxymethyl)morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CC(CCC2CCCCC2)OCC1CO.
What is the InChIKey of tert-butyl 2-(2-cyclohexylethyl)-5-(hydroxymethyl)morpholine-4-carboxylate?
The InChIKey is VXQXVKOYNUMAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO4/c1-18(2,3)23-17(21)19-11-16(22-13-15(19)12-20)10-9-14-7-5-4-6-8-14/h14-16,20H,4-13H2,1-3H3.
What are the key properties of tert-butyl 2-(2-cyclohexylethyl)-5-(hydroxymethyl)morpholine-4-carboxylate?
tert-butyl 2-(2-cyclohexylethyl)-5-(hydroxymethyl)morpholine-4-carboxylate has a molecular weight of 327.47 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-cyclohexylethyl)-5-(hydroxymethyl)morpholine-4-carboxylate is sourced from PubChem (CID 68559670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).