[(2E)-5-(tert-butylamino)cyclooct-2-en-1-yl] methyl carbonate

C14H25NO3 — CID 118550746

IUPAC[(2E)-5-(tert-butylamino)cyclooct-2-en-1-yl] methyl carbonate
SMILESCOC(=O)OC1/C=C\CC(NC(C)(C)C)CCC1
InChIInChI=1S/C14H25NO3/c1-14(2,3)15-11-7-5-9-12(10-6-8-11)18-13(16)17-4/h5,9,11-12,15H,6-8,10H2,1-4H3/b9-5-
InChIKeyZCOHPALAIBFQNX-UITAMQMPSA-N
MW255.36 g/mol
LogP3.02
Rot. Bonds2

About [(2E)-5-(tert-butylamino)cyclooct-2-en-1-yl] methyl carbonate

[(2E)-5-(tert-butylamino)cyclooct-2-en-1-yl] methyl carbonate (PubChem CID 118550746) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is [(2E)-5-(tert-butylamino)cyclooct-2-en-1-yl] methyl carbonate.

Molecular Properties

Compound Name[(2E)-5-(tert-butylamino)cyclooct-2-en-1-yl] methyl carbonate
PubChem CID118550746
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name[(2E)-5-(tert-butylamino)cyclooct-2-en-1-yl] methyl carbonate
SMILESCOC(=O)OC1/C=C\CC(NC(C)(C)C)CCC1
InChIInChI=1S/C14H25NO3/c1-14(2,3)15-11-7-5-9-12(10-6-8-11)18-13(16)17-4/h5,9,11-12,15H,6-8,10H2,1-4H3/b9-5-
InChIKeyZCOHPALAIBFQNX-UITAMQMPSA-N
XLogP3.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 [(2E)-5-(tert-butylamino)cyclooct-2-en-1-yl] methyl carbonate?
The IUPAC name of [(2E)-5-(tert-butylamino)cyclooct-2-en-1-yl] methyl carbonate (CID 118550746) is [(2E)-5-(tert-butylamino)cyclooct-2-en-1-yl] methyl carbonate.
What is the SMILES notation for [(2E)-5-(tert-butylamino)cyclooct-2-en-1-yl] methyl carbonate?
The canonical SMILES for [(2E)-5-(tert-butylamino)cyclooct-2-en-1-yl] methyl carbonate is COC(=O)OC1/C=C\CC(NC(C)(C)C)CCC1.
What is the InChIKey of [(2E)-5-(tert-butylamino)cyclooct-2-en-1-yl] methyl carbonate?
The InChIKey is ZCOHPALAIBFQNX-UITAMQMPSA-N. The full InChI is InChI=1S/C14H25NO3/c1-14(2,3)15-11-7-5-9-12(10-6-8-11)18-13(16)17-4/h5,9,11-12,15H,6-8,10H2,1-4H3/b9-5-.
What are the key properties of [(2E)-5-(tert-butylamino)cyclooct-2-en-1-yl] methyl carbonate?
[(2E)-5-(tert-butylamino)cyclooct-2-en-1-yl] methyl carbonate has a molecular weight of 255.36 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-5-(tert-butylamino)cyclooct-2-en-1-yl] methyl carbonate is sourced from PubChem (CID 118550746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).