[4-[(2E,4E)-hexa-2,4-dienoyl]oxycyclohexyl] (2E,4E)-hexa-2,4-dienoate

C18H24O4 — CID 74220898

IUPAC[4-[(2E,4E)-hexa-2,4-dienoyl]oxycyclohexyl] (2E,4E)-hexa-2,4-dienoate
SMILESC/C=C/C=C/C(=O)OC1CCC(OC(=O)/C=C/C=C/C)CC1
InChIInChI=1S/C18H24O4/c1-3-5-7-9-17(19)21-15-11-13-16(14-12-15)22-18(20)10-8-6-4-2/h3-10,15-16H,11-14H2,1-2H3/b5-3+,6-4+,9-7+,10-8+
InChIKeyHDOHDVPTVMFEEX-MIIZMDLZSA-N
MW304.39 g/mol
LogP3.65
Rot. Bonds6

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

[4-[(2E,4E)-hexa-2,4-dienoyl]oxycyclohexyl] (2E,4E)-hexa-2,4-dienoate (PubChem CID 74220898) has the molecular formula C18H24O4 and a molecular weight of 304.39 g/mol. Its IUPAC name is [4-[(2E,4E)-hexa-2,4-dienoyl]oxycyclohexyl] (2E,4E)-hexa-2,4-dienoate.

Molecular Properties

Compound Name[4-[(2E,4E)-hexa-2,4-dienoyl]oxycyclohexyl] (2E,4E)-hexa-2,4-dienoate
PubChem CID74220898
Molecular FormulaC18H24O4
Molecular Weight304.39 g/mol
Exact Mass304.17
IUPAC Name[4-[(2E,4E)-hexa-2,4-dienoyl]oxycyclohexyl] (2E,4E)-hexa-2,4-dienoate
SMILESC/C=C/C=C/C(=O)OC1CCC(OC(=O)/C=C/C=C/C)CC1
InChIInChI=1S/C18H24O4/c1-3-5-7-9-17(19)21-15-11-13-16(14-12-15)22-18(20)10-8-6-4-2/h3-10,15-16H,11-14H2,1-2H3/b5-3+,6-4+,9-7+,10-8+
InChIKeyHDOHDVPTVMFEEX-MIIZMDLZSA-N
XLogP3.65
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

[4-(4-cyanophenyl)cyclohexyl] hexa-2,4-dienoate
CID 57317153
[4-[(2E)-penta-2,4-dienoyl]oxycyclohexyl] (2E)-penta-2,4-dienoate
CID 74221225
4-but-2-enoyloxycyclohexane-1-carboxylic acid
CID 67789284
[(3S,3aR,6R,6aR)-6-hexa-2,4-dienoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] hexa-2,4-dienoate
CID 90826132
potassium;(2E,4E)-hexa-2,4-dieneperoxoic acid;hydride
CID 174428854
potassium;sodium;[(2E,4E)-hexa-2,4-dienoyl] (2E,4E)-hexa-2,4-dieneperoxoate;hydride
CID 173044969
2-hexa-2,4-dienoyloxyethyl hexa-2,4-dienoate
CID 54422088
potassium;hydride;methyl (2E,4E)-hexa-2,4-dienoate
CID 173249378
(4-methoxycyclohexyl) 3-cyclopropylprop-2-enoate
CID 126802670
4-O-cyclopentyl 1-O-methyl (Z)-but-2-enedioate
CID 66902675
[4-[4-(4-methoxyphenyl)cyclohexyl]cyclohexyl] but-2-enoate
CID 54226465
[(2S,6R)-2,6-dimethylcyclohexyl] (E)-but-2-enoate
CID 130344595

Frequently Asked Questions

What is the IUPAC name of [4-[(2E,4E)-hexa-2,4-dienoyl]oxycyclohexyl] (2E,4E)-hexa-2,4-dienoate?
The IUPAC name of [4-[(2E,4E)-hexa-2,4-dienoyl]oxycyclohexyl] (2E,4E)-hexa-2,4-dienoate (CID 74220898) is [4-[(2E,4E)-hexa-2,4-dienoyl]oxycyclohexyl] (2E,4E)-hexa-2,4-dienoate.
What is the SMILES notation for [4-[(2E,4E)-hexa-2,4-dienoyl]oxycyclohexyl] (2E,4E)-hexa-2,4-dienoate?
The canonical SMILES for [4-[(2E,4E)-hexa-2,4-dienoyl]oxycyclohexyl] (2E,4E)-hexa-2,4-dienoate is C/C=C/C=C/C(=O)OC1CCC(OC(=O)/C=C/C=C/C)CC1.
What is the InChIKey of [4-[(2E,4E)-hexa-2,4-dienoyl]oxycyclohexyl] (2E,4E)-hexa-2,4-dienoate?
The InChIKey is HDOHDVPTVMFEEX-MIIZMDLZSA-N. The full InChI is InChI=1S/C18H24O4/c1-3-5-7-9-17(19)21-15-11-13-16(14-12-15)22-18(20)10-8-6-4-2/h3-10,15-16H,11-14H2,1-2H3/b5-3+,6-4+,9-7+,10-8+.
What are the key properties of [4-[(2E,4E)-hexa-2,4-dienoyl]oxycyclohexyl] (2E,4E)-hexa-2,4-dienoate?
[4-[(2E,4E)-hexa-2,4-dienoyl]oxycyclohexyl] (2E,4E)-hexa-2,4-dienoate has a molecular weight of 304.39 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2E,4E)-hexa-2,4-dienoyl]oxycyclohexyl] (2E,4E)-hexa-2,4-dienoate is sourced from PubChem (CID 74220898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).