tert-butyl (E,3S)-3-ethyl-6,6-dimethyl-5-morpholin-4-ylhept-4-enoate

C19H35NO3 — CID 177398558

IUPACtert-butyl (E,3S)-3-ethyl-6,6-dimethyl-5-morpholin-4-ylhept-4-enoate
SMILESCC[C@H](/C=C(/N1CCOCC1)C(C)(C)C)CC(=O)OC(C)(C)C
InChIInChI=1S/C19H35NO3/c1-8-15(14-17(21)23-19(5,6)7)13-16(18(2,3)4)20-9-11-22-12-10-20/h13,15H,8-12,14H2,1-7H3/b16-13+/t15-/m1/s1
InChIKeyHYEYJALUQYRBQZ-WTNDLDAUSA-N
MW325.49 g/mol
LogP4.01
Rot. Bonds5

About tert-butyl (E,3S)-3-ethyl-6,6-dimethyl-5-morpholin-4-ylhept-4-enoate

tert-butyl (E,3S)-3-ethyl-6,6-dimethyl-5-morpholin-4-ylhept-4-enoate (PubChem CID 177398558) has the molecular formula C19H35NO3 and a molecular weight of 325.49 g/mol. Its IUPAC name is tert-butyl (E,3S)-3-ethyl-6,6-dimethyl-5-morpholin-4-ylhept-4-enoate.

Molecular Properties

Compound Nametert-butyl (E,3S)-3-ethyl-6,6-dimethyl-5-morpholin-4-ylhept-4-enoate
PubChem CID177398558
Molecular FormulaC19H35NO3
Molecular Weight325.49 g/mol
Exact Mass325.26
IUPAC Nametert-butyl (E,3S)-3-ethyl-6,6-dimethyl-5-morpholin-4-ylhept-4-enoate
SMILESCC[C@H](/C=C(/N1CCOCC1)C(C)(C)C)CC(=O)OC(C)(C)C
InChIInChI=1S/C19H35NO3/c1-8-15(14-17(21)23-19(5,6)7)13-16(18(2,3)4)20-9-11-22-12-10-20/h13,15H,8-12,14H2,1-7H3/b16-13+/t15-/m1/s1
InChIKeyHYEYJALUQYRBQZ-WTNDLDAUSA-N
XLogP4.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.49
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl (E,3S)-3-ethyl-6,6-dimethyl-5-morpholin-4-ylhept-4-enoate with MolForge

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Related Compounds

tert-butyl 2-[[amino(morpholin-4-yl)methylidene]amino]acetate;hydroiodide
CID 119146780
tert-butyl morpholine-4-carboxylate;propan-1-ol
CID 145379856
tert-butyl (2S)-2-morpholin-4-ylbutanoate
CID 164532351
tert-butyl (3S)-3-amino-5-morpholin-4-ylsulfonylpent-4-enoate
CID 123359932
tert-butyl 2-[7,13,16-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,10-dioxa-4,7,13,16-tetrazacyclooctadec-4-yl]acetate;ethane
CID 156838383
tert-butyl 4-(morpholine-4-carbonylamino)butanoate
CID 159703563
(2R)-2-hydroxy-1-morpholin-4-ylbutan-1-one
CID 69457105
tert-butyl (3R)-3-methylpentanoate
CID 158245009
(2R)-2-ethyl-4-morpholin-4-yl-4-oxobutanoic acid
CID 59930843
tert-butyl 3-propanoyloxypentanoate
CID 19889267
tert-butyl (2R)-2-(morpholine-4-carbonylamino)propanoate
CID 80979649
2,2,3-trimethyl-1-morpholin-4-ylbutan-1-one
CID 23551857

Frequently Asked Questions

What is the IUPAC name of tert-butyl (E,3S)-3-ethyl-6,6-dimethyl-5-morpholin-4-ylhept-4-enoate?
The IUPAC name of tert-butyl (E,3S)-3-ethyl-6,6-dimethyl-5-morpholin-4-ylhept-4-enoate (CID 177398558) is tert-butyl (E,3S)-3-ethyl-6,6-dimethyl-5-morpholin-4-ylhept-4-enoate.
What is the SMILES notation for tert-butyl (E,3S)-3-ethyl-6,6-dimethyl-5-morpholin-4-ylhept-4-enoate?
The canonical SMILES for tert-butyl (E,3S)-3-ethyl-6,6-dimethyl-5-morpholin-4-ylhept-4-enoate is CC[C@H](/C=C(/N1CCOCC1)C(C)(C)C)CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (E,3S)-3-ethyl-6,6-dimethyl-5-morpholin-4-ylhept-4-enoate?
The InChIKey is HYEYJALUQYRBQZ-WTNDLDAUSA-N. The full InChI is InChI=1S/C19H35NO3/c1-8-15(14-17(21)23-19(5,6)7)13-16(18(2,3)4)20-9-11-22-12-10-20/h13,15H,8-12,14H2,1-7H3/b16-13+/t15-/m1/s1.
What are the key properties of tert-butyl (E,3S)-3-ethyl-6,6-dimethyl-5-morpholin-4-ylhept-4-enoate?
tert-butyl (E,3S)-3-ethyl-6,6-dimethyl-5-morpholin-4-ylhept-4-enoate has a molecular weight of 325.49 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (E,3S)-3-ethyl-6,6-dimethyl-5-morpholin-4-ylhept-4-enoate is sourced from PubChem (CID 177398558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).