2-ethoxyethyl 2-methyl-5-phenoxypent-2-enoate

C16H22O4 — CID 174222574

IUPAC2-ethoxyethyl 2-methyl-5-phenoxypent-2-enoate
SMILESCCOCCOC(=O)C(C)=CCCOc1ccccc1
InChIInChI=1S/C16H22O4/c1-3-18-12-13-20-16(17)14(2)8-7-11-19-15-9-5-4-6-10-15/h4-6,8-10H,3,7,11-13H2,1-2H3
InChIKeyYRZIWWRGIYSBKY-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.98
Rot. Bonds9

About 2-ethoxyethyl 2-methyl-5-phenoxypent-2-enoate

2-ethoxyethyl 2-methyl-5-phenoxypent-2-enoate (PubChem CID 174222574) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-ethoxyethyl 2-methyl-5-phenoxypent-2-enoate.

Molecular Properties

Compound Name2-ethoxyethyl 2-methyl-5-phenoxypent-2-enoate
PubChem CID174222574
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name2-ethoxyethyl 2-methyl-5-phenoxypent-2-enoate
SMILESCCOCCOC(=O)C(C)=CCCOc1ccccc1
InChIInChI=1S/C16H22O4/c1-3-18-12-13-20-16(17)14(2)8-7-11-19-15-9-5-4-6-10-15/h4-6,8-10H,3,7,11-13H2,1-2H3
InChIKeyYRZIWWRGIYSBKY-UHFFFAOYSA-N
XLogP2.98
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.98
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'}

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Related Compounds

2-phenoxyethyl (E)-2-methyl-5-phenoxypent-2-enoate
CID 176610982
2-methyl-5-(2-methyl-5-phenoxypent-2-enoyl)oxypent-2-enoic acid
CID 91283637
2-methyl-5-phenoxypent-2-enamide
CID 135224493
benzyl 2-methyl-5-phenoxypent-2-enoate;prop-2-enoic acid
CID 174943617
ethyl 2-methyl-5-phenylmethoxypent-2-enoate
CID 71337058
ethyl (E)-2-methyl-5-phenylmethoxypent-2-enoate
CID 11265152
2-phenylethyl 2-methyl-5-phenylpent-2-enoate
CID 174876813
2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 21252575
2-(2-ethoxyethoxy)ethyl phenyl carbonate
CID 118088520
2-phenoxyethyl 2-oxobutanoate
CID 71400908
2-ethoxyethyl 2-methylprop-2-enoate;phenyl 2-methylprop-2-enoate;prop-2-enoic acid
CID 175311006
(E)-2-methyl-9-phenoxynon-2-enoic acid
CID 118914903

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 2-methyl-5-phenoxypent-2-enoate?
The IUPAC name of 2-ethoxyethyl 2-methyl-5-phenoxypent-2-enoate (CID 174222574) is 2-ethoxyethyl 2-methyl-5-phenoxypent-2-enoate.
What is the SMILES notation for 2-ethoxyethyl 2-methyl-5-phenoxypent-2-enoate?
The canonical SMILES for 2-ethoxyethyl 2-methyl-5-phenoxypent-2-enoate is CCOCCOC(=O)C(C)=CCCOc1ccccc1.
What is the InChIKey of 2-ethoxyethyl 2-methyl-5-phenoxypent-2-enoate?
The InChIKey is YRZIWWRGIYSBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c1-3-18-12-13-20-16(17)14(2)8-7-11-19-15-9-5-4-6-10-15/h4-6,8-10H,3,7,11-13H2,1-2H3.
What are the key properties of 2-ethoxyethyl 2-methyl-5-phenoxypent-2-enoate?
2-ethoxyethyl 2-methyl-5-phenoxypent-2-enoate has a molecular weight of 278.35 g/mol, XLogP of 2.98, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2-methyl-5-phenoxypent-2-enoate is sourced from PubChem (CID 174222574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).