2-ethylhexyl 5-phenylpenta-2,4-dienoate

C19H26O2 — CID 139603020

IUPAC2-ethylhexyl 5-phenylpenta-2,4-dienoate
SMILESCCCCC(CC)COC(=O)C=CC=Cc1ccccc1
InChIInChI=1S/C19H26O2/c1-3-5-11-17(4-2)16-21-19(20)15-10-9-14-18-12-7-6-8-13-18/h6-10,12-15,17H,3-5,11,16H2,1-2H3
InChIKeyUQODAGQXDWDWFH-UHFFFAOYSA-N
MW286.42 g/mol
LogP5.02
Rot. Bonds9

About 2-ethylhexyl 5-phenylpenta-2,4-dienoate

2-ethylhexyl 5-phenylpenta-2,4-dienoate (PubChem CID 139603020) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-ethylhexyl 5-phenylpenta-2,4-dienoate.

Molecular Properties

Compound Name2-ethylhexyl 5-phenylpenta-2,4-dienoate
PubChem CID139603020
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Name2-ethylhexyl 5-phenylpenta-2,4-dienoate
SMILESCCCCC(CC)COC(=O)C=CC=Cc1ccccc1
InChIInChI=1S/C19H26O2/c1-3-5-11-17(4-2)16-21-19(20)15-10-9-14-18-12-7-6-8-13-18/h6-10,12-15,17H,3-5,11,16H2,1-2H3
InChIKeyUQODAGQXDWDWFH-UHFFFAOYSA-N
XLogP5.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

[(2S)-2-ethylhexyl] 3-phenylprop-2-enoate
CID 162860672
2-butylhexyl (E)-3-phenylprop-2-enoate
CID 175008206
1-O-[(2S)-2-ethylhexyl] 4-O-[(2R)-2-ethylhexyl] (E)-but-2-enedioate
CID 42587879
2-ethylhexyl 3-(4-iodophenyl)prop-2-enoate
CID 140807756
1-O-(2-ethylhexyl) 4-O-(1-phenylpropyl) (E)-but-2-enedioate
CID 91701340
diphenylmethanone;2-ethylhexyl 3-(4-methoxyphenyl)prop-2-enoate
CID 67021609
[(E)-4-(2-ethylhexoxy)-4-oxobut-2-enoyl]oxy-phenylmercury
CID 16684197
ethyl (4E)-5-phenylpenta-2,4-dienoate
CID 173106795
2-ethylhexyl (E)-3-(2-propan-2-yloxyphenyl)prop-2-enoate
CID 130331848
2-ethylhexyl 3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoate
CID 140807720
[(2R)-2-ethylhexyl] (E)-3-(2-phenylmethoxyphenyl)prop-2-enoate
CID 134837892
2-ethylhexyl (E)-3-[4-[5-[4-[(E)-3-(2-ethylhexoxy)-3-oxoprop-1-enyl]phenoxy]pentoxy]phenyl]prop-2-enoate
CID 10985001

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 5-phenylpenta-2,4-dienoate?
The IUPAC name of 2-ethylhexyl 5-phenylpenta-2,4-dienoate (CID 139603020) is 2-ethylhexyl 5-phenylpenta-2,4-dienoate.
What is the SMILES notation for 2-ethylhexyl 5-phenylpenta-2,4-dienoate?
The canonical SMILES for 2-ethylhexyl 5-phenylpenta-2,4-dienoate is CCCCC(CC)COC(=O)C=CC=Cc1ccccc1.
What is the InChIKey of 2-ethylhexyl 5-phenylpenta-2,4-dienoate?
The InChIKey is UQODAGQXDWDWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c1-3-5-11-17(4-2)16-21-19(20)15-10-9-14-18-12-7-6-8-13-18/h6-10,12-15,17H,3-5,11,16H2,1-2H3.
What are the key properties of 2-ethylhexyl 5-phenylpenta-2,4-dienoate?
2-ethylhexyl 5-phenylpenta-2,4-dienoate has a molecular weight of 286.42 g/mol, XLogP of 5.02, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 5-phenylpenta-2,4-dienoate is sourced from PubChem (CID 139603020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).