tert-butyl 2-(2-cyclohexylethyl)-5-formylmorpholine-4-carboxylate

C18H31NO4 — CID 87496777

IUPACtert-butyl 2-(2-cyclohexylethyl)-5-formylmorpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(CCC2CCCCC2)OCC1C=O
InChIInChI=1S/C18H31NO4/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/h12,14-16H,4-11,13H2,1-3H3
InChIKeyXJJZYPXXGBWMMD-UHFFFAOYSA-N
MW325.45 g/mol
LogP3.55
Rot. Bonds4

About tert-butyl 2-(2-cyclohexylethyl)-5-formylmorpholine-4-carboxylate

tert-butyl 2-(2-cyclohexylethyl)-5-formylmorpholine-4-carboxylate (PubChem CID 87496777) has the molecular formula C18H31NO4 and a molecular weight of 325.45 g/mol. Its IUPAC name is tert-butyl 2-(2-cyclohexylethyl)-5-formylmorpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-cyclohexylethyl)-5-formylmorpholine-4-carboxylate
PubChem CID87496777
Molecular FormulaC18H31NO4
Molecular Weight325.45 g/mol
Exact Mass325.23
IUPAC Nametert-butyl 2-(2-cyclohexylethyl)-5-formylmorpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(CCC2CCCCC2)OCC1C=O
InChIInChI=1S/C18H31NO4/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/h12,14-16H,4-11,13H2,1-3H3
InChIKeyXJJZYPXXGBWMMD-UHFFFAOYSA-N
XLogP3.55
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-formylpiperidine-1-carboxylate;ethane
CID 145071320
tert-butyl (2S)-2-formyl-4-methylpyrrolidine-1-carboxylate
CID 86679299
tert-butyl (2S,5S)-2-(bromomethyl)-5-methylmorpholine-4-carboxylate
CID 146665221
tert-butyl 3-(2-aminopropyl)azepane-1-carboxylate
CID 83913154
tert-butyl (4S)-4-fluoro-2-formylpyrrolidine-1-carboxylate
CID 154003917
tert-butyl 2-formyl-4-hydroxypyrrolidine-1-carboxylate;methanol
CID 143021832
tert-butyl (2R,4S)-4-fluoro-2-formylpyrrolidine-1-carboxylate
CID 86614993
tert-butyl 2-(2-cyclohexylethyl)-5-[2-(dibenzylamino)-3-(3,5-difluorophenyl)-3-phenylmethoxypropyl]morpholine-4-carboxylate
CID 68990705
tert-butyl (2R,4S)-2-formyl-4-methoxypyrrolidine-1-carboxylate
CID 124652560
tert-butyl 2-[2-(2-cyclohexylethylamino)ethyl]pyrrolidine-1-carboxylate
CID 107244617
ditert-butyl 7,9-diazabicyclo[4.2.2]decane-7,9-dicarboxylate
CID 69231191
tert-butyl 2-(cyclohexylmethoxy)morpholine-4-carboxylate
CID 68561852

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-cyclohexylethyl)-5-formylmorpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-(2-cyclohexylethyl)-5-formylmorpholine-4-carboxylate (CID 87496777) is tert-butyl 2-(2-cyclohexylethyl)-5-formylmorpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-cyclohexylethyl)-5-formylmorpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-(2-cyclohexylethyl)-5-formylmorpholine-4-carboxylate is CC(C)(C)OC(=O)N1CC(CCC2CCCCC2)OCC1C=O.
What is the InChIKey of tert-butyl 2-(2-cyclohexylethyl)-5-formylmorpholine-4-carboxylate?
The InChIKey is XJJZYPXXGBWMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO4/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/h12,14-16H,4-11,13H2,1-3H3.
What are the key properties of tert-butyl 2-(2-cyclohexylethyl)-5-formylmorpholine-4-carboxylate?
tert-butyl 2-(2-cyclohexylethyl)-5-formylmorpholine-4-carboxylate has a molecular weight of 325.45 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-cyclohexylethyl)-5-formylmorpholine-4-carboxylate is sourced from PubChem (CID 87496777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).