tert-butyl 3-methyl-2-(4-methylpent-4-enyl)morpholine-4-carboxylate

C16H29NO3 — CID 123651244

IUPACtert-butyl 3-methyl-2-(4-methylpent-4-enyl)morpholine-4-carboxylate
SMILESC=C(C)CCCC1OCCN(C(=O)OC(C)(C)C)C1C
InChIInChI=1S/C16H29NO3/c1-12(2)8-7-9-14-13(3)17(10-11-19-14)15(18)20-16(4,5)6/h13-14H,1,7-11H2,2-6H3
InChIKeyGRJRBKKDODLGGE-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.76
Rot. Bonds4

About tert-butyl 3-methyl-2-(4-methylpent-4-enyl)morpholine-4-carboxylate

tert-butyl 3-methyl-2-(4-methylpent-4-enyl)morpholine-4-carboxylate (PubChem CID 123651244) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is tert-butyl 3-methyl-2-(4-methylpent-4-enyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methyl-2-(4-methylpent-4-enyl)morpholine-4-carboxylate
PubChem CID123651244
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Nametert-butyl 3-methyl-2-(4-methylpent-4-enyl)morpholine-4-carboxylate
SMILESC=C(C)CCCC1OCCN(C(=O)OC(C)(C)C)C1C
InChIInChI=1S/C16H29NO3/c1-12(2)8-7-9-14-13(3)17(10-11-19-14)15(18)20-16(4,5)6/h13-14H,1,7-11H2,2-6H3
InChIKeyGRJRBKKDODLGGE-UHFFFAOYSA-N
XLogP3.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methyl-2-(4-methylpent-4-enyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-methyl-2-(4-methylpent-4-enyl)morpholine-4-carboxylate (CID 123651244) is tert-butyl 3-methyl-2-(4-methylpent-4-enyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-methyl-2-(4-methylpent-4-enyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-methyl-2-(4-methylpent-4-enyl)morpholine-4-carboxylate is C=C(C)CCCC1OCCN(C(=O)OC(C)(C)C)C1C.
What is the InChIKey of tert-butyl 3-methyl-2-(4-methylpent-4-enyl)morpholine-4-carboxylate?
The InChIKey is GRJRBKKDODLGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-12(2)8-7-9-14-13(3)17(10-11-19-14)15(18)20-16(4,5)6/h13-14H,1,7-11H2,2-6H3.
What are the key properties of tert-butyl 3-methyl-2-(4-methylpent-4-enyl)morpholine-4-carboxylate?
tert-butyl 3-methyl-2-(4-methylpent-4-enyl)morpholine-4-carboxylate has a molecular weight of 283.41 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methyl-2-(4-methylpent-4-enyl)morpholine-4-carboxylate is sourced from PubChem (CID 123651244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).