[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl] 2-tert-butyl-4-methylpentanoate

C23H32O2 — CID 144703641

IUPAC[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl] 2-tert-butyl-4-methylpentanoate
SMILESC=C/C=C(\C=C)C(OC(=O)C(CC(C)C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C23H32O2/c1-8-13-18(9-2)21(19-14-11-10-12-15-19)25-22(24)20(16-17(3)4)23(5,6)7/h8-15,17,20-21H,1-2,16H2,3-7H3/b18-13+
InChIKeyJZKCNBFJSIWZIG-QGOAFFKASA-N
MW340.51 g/mol
LogP6.28
Rot. Bonds8

About [(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl] 2-tert-butyl-4-methylpentanoate

[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl] 2-tert-butyl-4-methylpentanoate (PubChem CID 144703641) has the molecular formula C23H32O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is [(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl] 2-tert-butyl-4-methylpentanoate.

Molecular Properties

Compound Name[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl] 2-tert-butyl-4-methylpentanoate
PubChem CID144703641
Molecular FormulaC23H32O2
Molecular Weight340.51 g/mol
Exact Mass340.24
IUPAC Name[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl] 2-tert-butyl-4-methylpentanoate
SMILESC=C/C=C(\C=C)C(OC(=O)C(CC(C)C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C23H32O2/c1-8-13-18(9-2)21(19-14-11-10-12-15-19)25-22(24)20(16-17(3)4)23(5,6)7/h8-15,17,20-21H,1-2,16H2,3-7H3/b18-13+
InChIKeyJZKCNBFJSIWZIG-QGOAFFKASA-N
XLogP6.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 56.28
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

benzyl 2-tert-butyl-4-methylpentanoate
CID 54399323
(4E)-1-chloro-4-ethenyl-3-phenylhepta-4,6-dien-2-one
CID 145368331
ethane;[(3E)-3-ethenylhexa-3,5-dien-2-yl]benzene;methane
CID 177324817
1-phenylethyl prop-2-enoate
CID 175321764
1-phenylethyl 2-amino-4-methylpentanoate
CID 61277659
benzhydryl (2S)-2-hydroxy-4-methylpentanoate
CID 10266710
(4E)-4-ethenyl-3-phenylhepta-1,4,6-trien-2-ol
CID 142139727
ethenyl 2-acetyloxy-2-phenylacetate
CID 174358025
[(1R)-3-methyl-1-phenylbutyl] benzoate
CID 15503412
(2-methylidene-1-phenylbut-3-enyl) acetate
CID 10774469
ethane;[(5E)-5-ethenylocta-5,7-dien-4-yl]benzene;methane
CID 142240938
methyl 2-phenyl-2-prop-2-enoxyacetate
CID 13341026

Frequently Asked Questions

What is the IUPAC name of [(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl] 2-tert-butyl-4-methylpentanoate?
The IUPAC name of [(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl] 2-tert-butyl-4-methylpentanoate (CID 144703641) is [(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl] 2-tert-butyl-4-methylpentanoate.
What is the SMILES notation for [(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl] 2-tert-butyl-4-methylpentanoate?
The canonical SMILES for [(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl] 2-tert-butyl-4-methylpentanoate is C=C/C=C(\C=C)C(OC(=O)C(CC(C)C)C(C)(C)C)c1ccccc1.
What is the InChIKey of [(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl] 2-tert-butyl-4-methylpentanoate?
The InChIKey is JZKCNBFJSIWZIG-QGOAFFKASA-N. The full InChI is InChI=1S/C23H32O2/c1-8-13-18(9-2)21(19-14-11-10-12-15-19)25-22(24)20(16-17(3)4)23(5,6)7/h8-15,17,20-21H,1-2,16H2,3-7H3/b18-13+.
What are the key properties of [(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl] 2-tert-butyl-4-methylpentanoate?
[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl] 2-tert-butyl-4-methylpentanoate has a molecular weight of 340.51 g/mol, XLogP of 6.28, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl] 2-tert-butyl-4-methylpentanoate is sourced from PubChem (CID 144703641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).