methyl (2Z,5E)-2-(2-diazoethylidene)-6,10-dimethylundeca-5,9-dienoate

C16H24N2O2 — CID 137300587

IUPACmethyl (2Z,5E)-2-(2-diazoethylidene)-6,10-dimethylundeca-5,9-dienoate
SMILESCOC(=O)/C(=C\C=[N+]=[N-])CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C16H24N2O2/c1-13(2)7-5-8-14(3)9-6-10-15(11-12-18-17)16(19)20-4/h7,9,11-12H,5-6,8,10H2,1-4H3/b14-9+,15-11-
InChIKeyLZSRKCSFXMTFJX-PVMFERMNSA-N
MW276.38 g/mol
LogP3.86
Rot. Bonds8

About methyl (2Z,5E)-2-(2-diazoethylidene)-6,10-dimethylundeca-5,9-dienoate

methyl (2Z,5E)-2-(2-diazoethylidene)-6,10-dimethylundeca-5,9-dienoate (PubChem CID 137300587) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is methyl (2Z,5E)-2-(2-diazoethylidene)-6,10-dimethylundeca-5,9-dienoate.

Molecular Properties

Compound Namemethyl (2Z,5E)-2-(2-diazoethylidene)-6,10-dimethylundeca-5,9-dienoate
PubChem CID137300587
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Namemethyl (2Z,5E)-2-(2-diazoethylidene)-6,10-dimethylundeca-5,9-dienoate
SMILESCOC(=O)/C(=C\C=[N+]=[N-])CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C16H24N2O2/c1-13(2)7-5-8-14(3)9-6-10-15(11-12-18-17)16(19)20-4/h7,9,11-12H,5-6,8,10H2,1-4H3/b14-9+,15-11-
InChIKeyLZSRKCSFXMTFJX-PVMFERMNSA-N
XLogP3.86
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2Z,5E)-2-(2-diazoethylidene)-6,10-dimethylundeca-5,9-dienoate?
The IUPAC name of methyl (2Z,5E)-2-(2-diazoethylidene)-6,10-dimethylundeca-5,9-dienoate (CID 137300587) is methyl (2Z,5E)-2-(2-diazoethylidene)-6,10-dimethylundeca-5,9-dienoate.
What is the SMILES notation for methyl (2Z,5E)-2-(2-diazoethylidene)-6,10-dimethylundeca-5,9-dienoate?
The canonical SMILES for methyl (2Z,5E)-2-(2-diazoethylidene)-6,10-dimethylundeca-5,9-dienoate is COC(=O)/C(=C\C=[N+]=[N-])CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of methyl (2Z,5E)-2-(2-diazoethylidene)-6,10-dimethylundeca-5,9-dienoate?
The InChIKey is LZSRKCSFXMTFJX-PVMFERMNSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13(2)7-5-8-14(3)9-6-10-15(11-12-18-17)16(19)20-4/h7,9,11-12H,5-6,8,10H2,1-4H3/b14-9+,15-11-.
What are the key properties of methyl (2Z,5E)-2-(2-diazoethylidene)-6,10-dimethylundeca-5,9-dienoate?
methyl (2Z,5E)-2-(2-diazoethylidene)-6,10-dimethylundeca-5,9-dienoate has a molecular weight of 276.38 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z,5E)-2-(2-diazoethylidene)-6,10-dimethylundeca-5,9-dienoate is sourced from PubChem (CID 137300587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).