(2E,4E)-1,6-di(cyclohex-2-en-1-yl)hexa-2,4-diene-1,6-dione

C18H22O2 — CID 102390759

IUPAC(2E,4E)-1,6-di(cyclohex-2-en-1-yl)hexa-2,4-diene-1,6-dione
SMILESO=C(/C=C/C=C/C(=O)C1C=CCCC1)C1C=CCCC1
InChIInChI=1S/C18H22O2/c19-17(15-9-3-1-4-10-15)13-7-8-14-18(20)16-11-5-2-6-12-16/h3,5,7-9,11,13-16H,1-2,4,6,10,12H2/b13-7+,14-8+
InChIKeyWHJFXAUVPYWXTL-FNCQTZNRSA-N
MW270.37 g/mol
LogP3.95
Rot. Bonds5

About (2E,4E)-1,6-di(cyclohex-2-en-1-yl)hexa-2,4-diene-1,6-dione

(2E,4E)-1,6-di(cyclohex-2-en-1-yl)hexa-2,4-diene-1,6-dione (PubChem CID 102390759) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is (2E,4E)-1,6-di(cyclohex-2-en-1-yl)hexa-2,4-diene-1,6-dione.

Molecular Properties

Compound Name(2E,4E)-1,6-di(cyclohex-2-en-1-yl)hexa-2,4-diene-1,6-dione
PubChem CID102390759
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name(2E,4E)-1,6-di(cyclohex-2-en-1-yl)hexa-2,4-diene-1,6-dione
SMILESO=C(/C=C/C=C/C(=O)C1C=CCCC1)C1C=CCCC1
InChIInChI=1S/C18H22O2/c19-17(15-9-3-1-4-10-15)13-7-8-14-18(20)16-11-5-2-6-12-16/h3,5,7-9,11,13-16H,1-2,4,6,10,12H2/b13-7+,14-8+
InChIKeyWHJFXAUVPYWXTL-FNCQTZNRSA-N
XLogP3.95
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

di(cyclohex-2-en-1-yl)methanone
CID 12625750
CID 173230696
CID 173230696
cyclohex-2-ene-1-carboxylate
CID 21218503
alumane;cyclohex-2-ene-1-carboxylic acid
CID 173230504
2-chloro-1-cyclohex-2-en-1-ylethanone
CID 141466272
cyclohept-2-ene-1-carboxylic acid
CID 10606834
2,2-dichloro-1-cyclohex-2-en-1-ylethanone
CID 57016024
N-ethylcyclohex-2-ene-1-carboxamide
CID 130738610
N-(1-methylcyclopropyl)cyclohex-2-ene-1-carboxamide
CID 130615147
1-acetyloxyethyl cyclohex-2-ene-1-carboxylate
CID 142208667
2-methylbut-3-en-2-yloxy cyclohex-2-ene-1-carboperoxoate
CID 88598612
1-cyclohex-2-en-1-ylprop-1-enylbenzene
CID 123727649

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-1,6-di(cyclohex-2-en-1-yl)hexa-2,4-diene-1,6-dione?
The IUPAC name of (2E,4E)-1,6-di(cyclohex-2-en-1-yl)hexa-2,4-diene-1,6-dione (CID 102390759) is (2E,4E)-1,6-di(cyclohex-2-en-1-yl)hexa-2,4-diene-1,6-dione.
What is the SMILES notation for (2E,4E)-1,6-di(cyclohex-2-en-1-yl)hexa-2,4-diene-1,6-dione?
The canonical SMILES for (2E,4E)-1,6-di(cyclohex-2-en-1-yl)hexa-2,4-diene-1,6-dione is O=C(/C=C/C=C/C(=O)C1C=CCCC1)C1C=CCCC1.
What is the InChIKey of (2E,4E)-1,6-di(cyclohex-2-en-1-yl)hexa-2,4-diene-1,6-dione?
The InChIKey is WHJFXAUVPYWXTL-FNCQTZNRSA-N. The full InChI is InChI=1S/C18H22O2/c19-17(15-9-3-1-4-10-15)13-7-8-14-18(20)16-11-5-2-6-12-16/h3,5,7-9,11,13-16H,1-2,4,6,10,12H2/b13-7+,14-8+.
What are the key properties of (2E,4E)-1,6-di(cyclohex-2-en-1-yl)hexa-2,4-diene-1,6-dione?
(2E,4E)-1,6-di(cyclohex-2-en-1-yl)hexa-2,4-diene-1,6-dione has a molecular weight of 270.37 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1,6-di(cyclohex-2-en-1-yl)hexa-2,4-diene-1,6-dione is sourced from PubChem (CID 102390759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).