[(2E,4E)-5-cyclohexylpenta-2,4-dienyl] acetate

C13H20O2 — CID 15327120

IUPAC[(2E,4E)-5-cyclohexylpenta-2,4-dienyl] acetate
SMILESCC(=O)OC/C=C/C=C/C1CCCCC1
InChIInChI=1S/C13H20O2/c1-12(14)15-11-7-3-6-10-13-8-4-2-5-9-13/h3,6-7,10,13H,2,4-5,8-9,11H2,1H3/b7-3+,10-6+
InChIKeyCYWQMMMQXGGGEV-ASVGJQBISA-N
MW208.30 g/mol
LogP3.24
Rot. Bonds4

About [(2E,4E)-5-cyclohexylpenta-2,4-dienyl] acetate

[(2E,4E)-5-cyclohexylpenta-2,4-dienyl] acetate (PubChem CID 15327120) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is [(2E,4E)-5-cyclohexylpenta-2,4-dienyl] acetate.

Molecular Properties

Compound Name[(2E,4E)-5-cyclohexylpenta-2,4-dienyl] acetate
PubChem CID15327120
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name[(2E,4E)-5-cyclohexylpenta-2,4-dienyl] acetate
SMILESCC(=O)OC/C=C/C=C/C1CCCCC1
InChIInChI=1S/C13H20O2/c1-12(14)15-11-7-3-6-10-13-8-4-2-5-9-13/h3,6-7,10,13H,2,4-5,8-9,11H2,1H3/b7-3+,10-6+
InChIKeyCYWQMMMQXGGGEV-ASVGJQBISA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohexylprop-2-enyl hydrogen carbonate
CID 139900277
(2E,4E)-5-cyclohexylpenta-2,4-dien-1-ol
CID 15237283
[(1E,3E)-5-(2-methoxypropan-2-yloxy)penta-1,3-dienyl]cyclohexane
CID 11253413
[(Z)-2-cyclohexylethenyl] acetate
CID 13396784
9-(oxan-2-yl)nona-2,8-dien-4,6-diynyl acetate
CID 162900625
dimethyl 2-[(E)-3-cyclohexylprop-2-enyl]propanedioate
CID 102464212
2-methylpropyl (E)-3-cycloheptylprop-2-enoate
CID 11629960
[(E)-4-bromo-3-cyclohexylbut-2-enyl] acetate
CID 71505041
4-hydroxybut-2-enyl acetate
CID 54073989
propyl (E)-3-cyclohexylprop-2-enoate
CID 10750409
3-cyclohexylprop-2-enal
CID 54063598
[(E)-5-acetyloxypent-3-enyl] 7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecane-12-carboxylate
CID 132504551

Frequently Asked Questions

What is the IUPAC name of [(2E,4E)-5-cyclohexylpenta-2,4-dienyl] acetate?
The IUPAC name of [(2E,4E)-5-cyclohexylpenta-2,4-dienyl] acetate (CID 15327120) is [(2E,4E)-5-cyclohexylpenta-2,4-dienyl] acetate.
What is the SMILES notation for [(2E,4E)-5-cyclohexylpenta-2,4-dienyl] acetate?
The canonical SMILES for [(2E,4E)-5-cyclohexylpenta-2,4-dienyl] acetate is CC(=O)OC/C=C/C=C/C1CCCCC1.
What is the InChIKey of [(2E,4E)-5-cyclohexylpenta-2,4-dienyl] acetate?
The InChIKey is CYWQMMMQXGGGEV-ASVGJQBISA-N. The full InChI is InChI=1S/C13H20O2/c1-12(14)15-11-7-3-6-10-13-8-4-2-5-9-13/h3,6-7,10,13H,2,4-5,8-9,11H2,1H3/b7-3+,10-6+.
What are the key properties of [(2E,4E)-5-cyclohexylpenta-2,4-dienyl] acetate?
[(2E,4E)-5-cyclohexylpenta-2,4-dienyl] acetate has a molecular weight of 208.30 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4E)-5-cyclohexylpenta-2,4-dienyl] acetate is sourced from PubChem (CID 15327120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).