ethyl deca-2,4-dienoate;ethyl (2E,4Z)-deca-2,4-dienoate

C24H40O4 — CID 87304480

IUPACethyl deca-2,4-dienoate;ethyl (2E,4Z)-deca-2,4-dienoate
SMILESCCCCC/C=C\C=C\C(=O)OCC.CCCCCC=CC=CC(=O)OCC
InChIInChI=1S/2C12H20O2/c2*1-3-5-6-7-8-9-10-11-12(13)14-4-2/h2*8-11H,3-7H2,1-2H3/b9-8-,11-10+;
InChIKeyHYYZQVMFHATFSH-DMFNYBFFSA-N
MW392.58 g/mol
LogP6.48
Rot. Bonds14

About ethyl deca-2,4-dienoate;ethyl (2E,4Z)-deca-2,4-dienoate

ethyl deca-2,4-dienoate;ethyl (2E,4Z)-deca-2,4-dienoate (PubChem CID 87304480) has the molecular formula C24H40O4 and a molecular weight of 392.58 g/mol. Its IUPAC name is ethyl deca-2,4-dienoate;ethyl (2E,4Z)-deca-2,4-dienoate.

Molecular Properties

Compound Nameethyl deca-2,4-dienoate;ethyl (2E,4Z)-deca-2,4-dienoate
PubChem CID87304480
Molecular FormulaC24H40O4
Molecular Weight392.58 g/mol
Exact Mass392.29
IUPAC Nameethyl deca-2,4-dienoate;ethyl (2E,4Z)-deca-2,4-dienoate
SMILESCCCCC/C=C\C=C\C(=O)OCC.CCCCCC=CC=CC(=O)OCC
InChIInChI=1S/2C12H20O2/c2*1-3-5-6-7-8-9-10-11-12(13)14-4-2/h2*8-11H,3-7H2,1-2H3/b9-8-,11-10+;
InChIKeyHYYZQVMFHATFSH-DMFNYBFFSA-N
XLogP6.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.58
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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
ethyl (2E,4E,6Z,9Z)-pentadeca-2,4,6,9-tetraenoate
CID 23252965
propyl dodeca-2,4-dienoate
CID 91204454
propyl octadeca-2,4-dienoate
CID 87964592
ethyl (E)-octadec-2-enoate
CID 10913939
ethyl tridec-2-enoate
CID 54010960
[(Z)-octadec-9-enyl] icosa-2,4,6-trienoate
CID 172556529
2-methylpropyl docosa-2,4,6,8,10,12-hexaenoate
CID 139917793
[(E)-hex-3-enyl] (2Z,4Z)-deca-2,4-dienoate
CID 20833816
icosa-2,4-dieneperoxoic acid
CID 174983513
methyl (4Z)-undeca-2,4-dienoate
CID 172824918

Frequently Asked Questions

What is the IUPAC name of ethyl deca-2,4-dienoate;ethyl (2E,4Z)-deca-2,4-dienoate?
The IUPAC name of ethyl deca-2,4-dienoate;ethyl (2E,4Z)-deca-2,4-dienoate (CID 87304480) is ethyl deca-2,4-dienoate;ethyl (2E,4Z)-deca-2,4-dienoate.
What is the SMILES notation for ethyl deca-2,4-dienoate;ethyl (2E,4Z)-deca-2,4-dienoate?
The canonical SMILES for ethyl deca-2,4-dienoate;ethyl (2E,4Z)-deca-2,4-dienoate is CCCCC/C=C\C=C\C(=O)OCC.CCCCCC=CC=CC(=O)OCC.
What is the InChIKey of ethyl deca-2,4-dienoate;ethyl (2E,4Z)-deca-2,4-dienoate?
The InChIKey is HYYZQVMFHATFSH-DMFNYBFFSA-N. The full InChI is InChI=1S/2C12H20O2/c2*1-3-5-6-7-8-9-10-11-12(13)14-4-2/h2*8-11H,3-7H2,1-2H3/b9-8-,11-10+;.
What are the key properties of ethyl deca-2,4-dienoate;ethyl (2E,4Z)-deca-2,4-dienoate?
ethyl deca-2,4-dienoate;ethyl (2E,4Z)-deca-2,4-dienoate has a molecular weight of 392.58 g/mol, XLogP of 6.48, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl deca-2,4-dienoate;ethyl (2E,4Z)-deca-2,4-dienoate is sourced from PubChem (CID 87304480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).