[(2E,4E)-octa-2,4-dienoyl] (2E,4E)-octa-2,4-dienoate

C16H22O3 — CID 51357065

IUPAC[(2E,4E)-octa-2,4-dienoyl] (2E,4E)-octa-2,4-dienoate
SMILESCCC/C=C/C=C/C(=O)OC(=O)/C=C/C=C/CCC
InChIInChI=1S/C16H22O3/c1-3-5-7-9-11-13-15(17)19-16(18)14-12-10-8-6-4-2/h7-14H,3-6H2,1-2H3/b9-7+,10-8+,13-11+,14-12+
InChIKeyGNSURYCZXJGZBM-NOEJSRFCSA-N
MW262.35 g/mol
LogP3.88
Rot. Bonds8

About [(2E,4E)-octa-2,4-dienoyl] (2E,4E)-octa-2,4-dienoate

[(2E,4E)-octa-2,4-dienoyl] (2E,4E)-octa-2,4-dienoate (PubChem CID 51357065) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is [(2E,4E)-octa-2,4-dienoyl] (2E,4E)-octa-2,4-dienoate.

Molecular Properties

Compound Name[(2E,4E)-octa-2,4-dienoyl] (2E,4E)-octa-2,4-dienoate
PubChem CID51357065
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name[(2E,4E)-octa-2,4-dienoyl] (2E,4E)-octa-2,4-dienoate
SMILESCCC/C=C/C=C/C(=O)OC(=O)/C=C/C=C/CCC
InChIInChI=1S/C16H22O3/c1-3-5-7-9-11-13-15(17)19-16(18)14-12-10-8-6-4-2/h7-14H,3-6H2,1-2H3/b9-7+,10-8+,13-11+,14-12+
InChIKeyGNSURYCZXJGZBM-NOEJSRFCSA-N
XLogP3.88
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze [(2E,4E)-octa-2,4-dienoyl] (2E,4E)-octa-2,4-dienoate with MolForge

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Launch Full Analysis

Related Compounds

methyl deca-2,4,6-trienoate
CID 57131946
(3E)-nona-3,5-dien-2-one
CID 131243861
carboxy hex-2-enoate
CID 150448885
[(2Z,4E)-7-methylocta-2,4-dienoyl] (2Z,4E)-7-methylocta-2,4-dienoate
CID 11185384
propyl octadeca-2,4-dienoate
CID 87964592
propyl dodeca-2,4-dienoate
CID 91204454
methyl (2E,4E,6E)-undeca-2,4,6-trienoate
CID 21044545
ethyl deca-2,4-dienoate;ethyl (2E,4Z)-deca-2,4-dienoate
CID 87304480
methyl (4Z)-undeca-2,4-dienoate
CID 172824918
icosa-2,4-dieneperoxoic acid
CID 174983513
icosa-2,4-dienoic acid;methyl icosa-2,4-dienoate
CID 173065923
[(Z)-octadec-9-enyl] icosa-2,4,6-trienoate
CID 172556529

Frequently Asked Questions

What is the IUPAC name of [(2E,4E)-octa-2,4-dienoyl] (2E,4E)-octa-2,4-dienoate?
The IUPAC name of [(2E,4E)-octa-2,4-dienoyl] (2E,4E)-octa-2,4-dienoate (CID 51357065) is [(2E,4E)-octa-2,4-dienoyl] (2E,4E)-octa-2,4-dienoate.
What is the SMILES notation for [(2E,4E)-octa-2,4-dienoyl] (2E,4E)-octa-2,4-dienoate?
The canonical SMILES for [(2E,4E)-octa-2,4-dienoyl] (2E,4E)-octa-2,4-dienoate is CCC/C=C/C=C/C(=O)OC(=O)/C=C/C=C/CCC.
What is the InChIKey of [(2E,4E)-octa-2,4-dienoyl] (2E,4E)-octa-2,4-dienoate?
The InChIKey is GNSURYCZXJGZBM-NOEJSRFCSA-N. The full InChI is InChI=1S/C16H22O3/c1-3-5-7-9-11-13-15(17)19-16(18)14-12-10-8-6-4-2/h7-14H,3-6H2,1-2H3/b9-7+,10-8+,13-11+,14-12+.
What are the key properties of [(2E,4E)-octa-2,4-dienoyl] (2E,4E)-octa-2,4-dienoate?
[(2E,4E)-octa-2,4-dienoyl] (2E,4E)-octa-2,4-dienoate has a molecular weight of 262.35 g/mol, XLogP of 3.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4E)-octa-2,4-dienoyl] (2E,4E)-octa-2,4-dienoate is sourced from PubChem (CID 51357065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).