2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-5-phenylpenta-2,4-dienoate

C18H20O4 — CID 174480451

IUPAC2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-5-phenylpenta-2,4-dienoate
SMILESC=C(C)C(=O)OCCOC(=O)C(C)=CC=Cc1ccccc1
InChIInChI=1S/C18H20O4/c1-14(2)17(19)21-12-13-22-18(20)15(3)8-7-11-16-9-5-4-6-10-16/h4-11H,1,12-13H2,2-3H3
InChIKeyUQNHFBDDVKFKLM-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.31
Rot. Bonds7

About 2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-5-phenylpenta-2,4-dienoate

2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-5-phenylpenta-2,4-dienoate (PubChem CID 174480451) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-5-phenylpenta-2,4-dienoate.

Molecular Properties

Compound Name2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-5-phenylpenta-2,4-dienoate
PubChem CID174480451
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-5-phenylpenta-2,4-dienoate
SMILESC=C(C)C(=O)OCCOC(=O)C(C)=CC=Cc1ccccc1
InChIInChI=1S/C18H20O4/c1-14(2)17(19)21-12-13-22-18(20)15(3)8-7-11-16-9-5-4-6-10-16/h4-11H,1,12-13H2,2-3H3
InChIKeyUQNHFBDDVKFKLM-UHFFFAOYSA-N
XLogP3.31
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-3-phenylprop-2-enoate
CID 70124649
2-[[(E)-3-phenylprop-2-enylidene]amino]ethyl 2-methylprop-2-enoate
CID 102298814
2-(3-phenylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;styrene
CID 175223098
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
[4-(2-methylprop-2-enoyloxy)-6-phenylhex-5-enyl] 2-methylprop-2-enoate
CID 70229754
butyl 2-methylprop-2-enoate;2-methyl-3-[5,5,5-trifluoro-2-methyl-3-(2-methyl-5-phenylpenta-2,4-dienoyl)oxypent-2-enoyl]oxyhex-2-enoic acid
CID 175250145
2-methylprop-2-enoic acid;3-phenylprop-2-enyl 2-methylprop-2-enoate
CID 137350549
[3-oxo-3-[4-(2-phenylethenyl)phenoxy]propyl] 2-methylprop-2-enoate
CID 118976656
ethane-1,2-diol;bis(2-methyl-5-phenylpenta-2,4-dienoic acid)
CID 173388438
(2-hydroxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate
CID 54174138
2-hydroxyethyl (5E)-2-methyl-6-phenylhexa-2,5-dienoate
CID 175223301
sodium;2-hydroxyethyl 2-methylprop-2-enoate;2-phenylethenesulfonate
CID 86722558

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-5-phenylpenta-2,4-dienoate?
The IUPAC name of 2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-5-phenylpenta-2,4-dienoate (CID 174480451) is 2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-5-phenylpenta-2,4-dienoate.
What is the SMILES notation for 2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-5-phenylpenta-2,4-dienoate?
The canonical SMILES for 2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-5-phenylpenta-2,4-dienoate is C=C(C)C(=O)OCCOC(=O)C(C)=CC=Cc1ccccc1.
What is the InChIKey of 2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-5-phenylpenta-2,4-dienoate?
The InChIKey is UQNHFBDDVKFKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-14(2)17(19)21-12-13-22-18(20)15(3)8-7-11-16-9-5-4-6-10-16/h4-11H,1,12-13H2,2-3H3.
What are the key properties of 2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-5-phenylpenta-2,4-dienoate?
2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-5-phenylpenta-2,4-dienoate has a molecular weight of 300.35 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-5-phenylpenta-2,4-dienoate is sourced from PubChem (CID 174480451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).