methyl (4Z)-undeca-2,4-dienoate

C12H20O2 — CID 172824918

IUPACmethyl (4Z)-undeca-2,4-dienoate
SMILESCCCCCC/C=C\C=CC(=O)OC
InChIInChI=1S/C12H20O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h8-11H,3-7H2,1-2H3/b9-8-,11-10?
InChIKeyUSOOLPVJOOLOKK-CTLJZWCQSA-N
MW196.29 g/mol
LogP3.24
Rot. Bonds7

About methyl (4Z)-undeca-2,4-dienoate

methyl (4Z)-undeca-2,4-dienoate (PubChem CID 172824918) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is methyl (4Z)-undeca-2,4-dienoate.

Molecular Properties

Compound Namemethyl (4Z)-undeca-2,4-dienoate
PubChem CID172824918
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Namemethyl (4Z)-undeca-2,4-dienoate
SMILESCCCCCC/C=C\C=CC(=O)OC
InChIInChI=1S/C12H20O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h8-11H,3-7H2,1-2H3/b9-8-,11-10?
InChIKeyUSOOLPVJOOLOKK-CTLJZWCQSA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

methyl (2E,4E)-octadeca-2,4,6-trienoate
CID 141180621
icosa-2,4-dienoic acid;methyl icosa-2,4-dienoate
CID 173065923
cyclopropane;methyl icosa-2,4,6,8,10-pentaenoate
CID 173004856
methyl 13-oxooctadeca-2,4-dienoate
CID 90962690
methyl (2E,4E,6E)-undeca-2,4,6-trienoate
CID 21044545
methyl 14,15-dihydroxyicosa-2,4,6-trienoate
CID 54363707
icosa-2,4-dieneperoxoic acid
CID 174983513
methyl deca-2,4,6-trienoate
CID 57131946
methyl 8-hydroxyoctadeca-2,4-dienoate
CID 90770344
propyl octadeca-2,4-dienoate
CID 87964592
ethyl (2E,4E,6E,8E,10E)-tetracosa-2,4,6,8,10-pentaenoate
CID 166789450
ethyl (2E,4E,6E,8E,10E)-henicosa-2,4,6,8,10-pentaenoate
CID 74223057

Frequently Asked Questions

What is the IUPAC name of methyl (4Z)-undeca-2,4-dienoate?
The IUPAC name of methyl (4Z)-undeca-2,4-dienoate (CID 172824918) is methyl (4Z)-undeca-2,4-dienoate.
What is the SMILES notation for methyl (4Z)-undeca-2,4-dienoate?
The canonical SMILES for methyl (4Z)-undeca-2,4-dienoate is CCCCCC/C=C\C=CC(=O)OC.
What is the InChIKey of methyl (4Z)-undeca-2,4-dienoate?
The InChIKey is USOOLPVJOOLOKK-CTLJZWCQSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h8-11H,3-7H2,1-2H3/b9-8-,11-10?.
What are the key properties of methyl (4Z)-undeca-2,4-dienoate?
methyl (4Z)-undeca-2,4-dienoate has a molecular weight of 196.29 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4Z)-undeca-2,4-dienoate is sourced from PubChem (CID 172824918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).