2-hexa-2,4-dienoyloxyethyl hexa-2,4-dienoate

C14H18O4 — CID 54422088

IUPAC2-hexa-2,4-dienoyloxyethyl hexa-2,4-dienoate
SMILESCC=CC=CC(=O)OCCOC(=O)C=CC=CC
InChIInChI=1S/C14H18O4/c1-3-5-7-9-13(15)17-11-12-18-14(16)10-8-6-4-2/h3-10H,11-12H2,1-2H3
InChIKeyWBNPAGARHBRZLE-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.34
Rot. Bonds7

About 2-hexa-2,4-dienoyloxyethyl hexa-2,4-dienoate

2-hexa-2,4-dienoyloxyethyl hexa-2,4-dienoate (PubChem CID 54422088) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 2-hexa-2,4-dienoyloxyethyl hexa-2,4-dienoate.

Molecular Properties

Compound Name2-hexa-2,4-dienoyloxyethyl hexa-2,4-dienoate
PubChem CID54422088
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name2-hexa-2,4-dienoyloxyethyl hexa-2,4-dienoate
SMILESCC=CC=CC(=O)OCCOC(=O)C=CC=CC
InChIInChI=1S/C14H18O4/c1-3-5-7-9-13(15)17-11-12-18-14(16)10-8-6-4-2/h3-10H,11-12H2,1-2H3
InChIKeyWBNPAGARHBRZLE-UHFFFAOYSA-N
XLogP2.34
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.34
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

butyl (2Z,4E)-hexa-2,4-dienoate
CID 92529716
potassium;butyl (2E,4E)-hexa-2,4-dienoate;hydride
CID 173308758
chloromethyl (2E,4E)-hexa-2,4-dienoate
CID 88646612
2-phenylethyl (4E)-hexa-2,4-dienoate
CID 137320029
2-hexa-2,4-dienoyloxyacetic acid
CID 90794032
hexa-2,4-dienyl hexa-2,4-dienoate
CID 90852778
2-[(2E,4E)-hexa-2,4-dienoyl]oxyethyl 4-hydroxybenzoate
CID 174381920
5-(dimethylamino)pentyl hexa-2,4-dienoate
CID 54421505
2-(4-bromophenoxy)ethyl (2E,4E)-hexa-2,4-dienoate
CID 55314879
2,2,2-trifluoroethyl (2E,4E)-hexa-2,4-dienoate
CID 101257475
2-[(E)-but-2-enoyl]oxyethyl (E)-but-2-enoate;ethane-1,2-diol
CID 87089825
6-(diethylamino)hexyl (2E,4E)-hexa-2,4-dienoate
CID 21249786

Frequently Asked Questions

What is the IUPAC name of 2-hexa-2,4-dienoyloxyethyl hexa-2,4-dienoate?
The IUPAC name of 2-hexa-2,4-dienoyloxyethyl hexa-2,4-dienoate (CID 54422088) is 2-hexa-2,4-dienoyloxyethyl hexa-2,4-dienoate.
What is the SMILES notation for 2-hexa-2,4-dienoyloxyethyl hexa-2,4-dienoate?
The canonical SMILES for 2-hexa-2,4-dienoyloxyethyl hexa-2,4-dienoate is CC=CC=CC(=O)OCCOC(=O)C=CC=CC.
What is the InChIKey of 2-hexa-2,4-dienoyloxyethyl hexa-2,4-dienoate?
The InChIKey is WBNPAGARHBRZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-3-5-7-9-13(15)17-11-12-18-14(16)10-8-6-4-2/h3-10H,11-12H2,1-2H3.
What are the key properties of 2-hexa-2,4-dienoyloxyethyl hexa-2,4-dienoate?
2-hexa-2,4-dienoyloxyethyl hexa-2,4-dienoate has a molecular weight of 250.29 g/mol, XLogP of 2.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexa-2,4-dienoyloxyethyl hexa-2,4-dienoate is sourced from PubChem (CID 54422088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).