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

C16H20O4 — CID 74221225

IUPAC[4-[(2E)-penta-2,4-dienoyl]oxycyclohexyl] (2E)-penta-2,4-dienoate
SMILESC=C/C=C/C(=O)OC1CCC(OC(=O)/C=C/C=C)CC1
InChIInChI=1S/C16H20O4/c1-3-5-7-15(17)19-13-9-11-14(12-10-13)20-16(18)8-6-4-2/h3-8,13-14H,1-2,9-12H2/b7-5+,8-6+
InChIKeyUYGKTDXTWNLJIZ-KQQUZDAGSA-N
MW276.33 g/mol
LogP2.87
Rot. Bonds6

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

[4-[(2E)-penta-2,4-dienoyl]oxycyclohexyl] (2E)-penta-2,4-dienoate (PubChem CID 74221225) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is [4-[(2E)-penta-2,4-dienoyl]oxycyclohexyl] (2E)-penta-2,4-dienoate.

Molecular Properties

Compound Name[4-[(2E)-penta-2,4-dienoyl]oxycyclohexyl] (2E)-penta-2,4-dienoate
PubChem CID74221225
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name[4-[(2E)-penta-2,4-dienoyl]oxycyclohexyl] (2E)-penta-2,4-dienoate
SMILESC=C/C=C/C(=O)OC1CCC(OC(=O)/C=C/C=C)CC1
InChIInChI=1S/C16H20O4/c1-3-5-7-15(17)19-13-9-11-14(12-10-13)20-16(18)8-6-4-2/h3-8,13-14H,1-2,9-12H2/b7-5+,8-6+
InChIKeyUYGKTDXTWNLJIZ-KQQUZDAGSA-N
XLogP2.87
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 52.87
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'}

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Related Compounds

[4-[(2E,4E)-hexa-2,4-dienoyl]oxycyclohexyl] (2E,4E)-hexa-2,4-dienoate
CID 74220898
CID 159294157
CID 159294157
ethenyl (2E)-penta-2,4-dienoate
CID 87528503
sodium;dicyclohexyl (Z)-but-2-enedioate;hydride
CID 174767941
dicyclohexyl (Z)-but-2-enedioate;methyl prop-2-enoate
CID 174735157
[4-(hydroxymethyl)cyclohexyl] prop-2-enoate
CID 135259704
di(penta-2,4-dienoyloxy)bismuthanyl penta-2,4-dienoate
CID 172754861
(4-methoxycyclohexyl) 3-cyclopropylprop-2-enoate
CID 126802670
4-but-2-enoyloxycyclohexane-1-carboxylic acid
CID 67789284
cyclohexyl (E)-4-amino-4-oxobut-2-enoate
CID 132966691
4-O-cyclopentyl 1-O-methyl (Z)-but-2-enedioate
CID 66902675
2-(4-prop-2-enoyloxycyclohexyl)acetic acid
CID 138732597

Frequently Asked Questions

What is the IUPAC name of [4-[(2E)-penta-2,4-dienoyl]oxycyclohexyl] (2E)-penta-2,4-dienoate?
The IUPAC name of [4-[(2E)-penta-2,4-dienoyl]oxycyclohexyl] (2E)-penta-2,4-dienoate (CID 74221225) is [4-[(2E)-penta-2,4-dienoyl]oxycyclohexyl] (2E)-penta-2,4-dienoate.
What is the SMILES notation for [4-[(2E)-penta-2,4-dienoyl]oxycyclohexyl] (2E)-penta-2,4-dienoate?
The canonical SMILES for [4-[(2E)-penta-2,4-dienoyl]oxycyclohexyl] (2E)-penta-2,4-dienoate is C=C/C=C/C(=O)OC1CCC(OC(=O)/C=C/C=C)CC1.
What is the InChIKey of [4-[(2E)-penta-2,4-dienoyl]oxycyclohexyl] (2E)-penta-2,4-dienoate?
The InChIKey is UYGKTDXTWNLJIZ-KQQUZDAGSA-N. The full InChI is InChI=1S/C16H20O4/c1-3-5-7-15(17)19-13-9-11-14(12-10-13)20-16(18)8-6-4-2/h3-8,13-14H,1-2,9-12H2/b7-5+,8-6+.
What are the key properties of [4-[(2E)-penta-2,4-dienoyl]oxycyclohexyl] (2E)-penta-2,4-dienoate?
[4-[(2E)-penta-2,4-dienoyl]oxycyclohexyl] (2E)-penta-2,4-dienoate has a molecular weight of 276.33 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2E)-penta-2,4-dienoyl]oxycyclohexyl] (2E)-penta-2,4-dienoate is sourced from PubChem (CID 74221225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).