2-(2-phenoxy-2-prop-2-enoyloxyethoxy)ethyl 2-methylprop-2-enoate

C17H20O6 — CID 139674274

IUPAC2-(2-phenoxy-2-prop-2-enoyloxyethoxy)ethyl 2-methylprop-2-enoate
SMILESC=CC(=O)OC(COCCOC(=O)C(=C)C)Oc1ccccc1
InChIInChI=1S/C17H20O6/c1-4-15(18)23-16(22-14-8-6-5-7-9-14)12-20-10-11-21-17(19)13(2)3/h4-9,16H,1-2,10-12H2,3H3
InChIKeyCFMOCHRZPIYHFW-UHFFFAOYSA-N
MW320.34 g/mol
LogP2.26
Rot. Bonds10

About 2-(2-phenoxy-2-prop-2-enoyloxyethoxy)ethyl 2-methylprop-2-enoate

2-(2-phenoxy-2-prop-2-enoyloxyethoxy)ethyl 2-methylprop-2-enoate (PubChem CID 139674274) has the molecular formula C17H20O6 and a molecular weight of 320.34 g/mol. Its IUPAC name is 2-(2-phenoxy-2-prop-2-enoyloxyethoxy)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(2-phenoxy-2-prop-2-enoyloxyethoxy)ethyl 2-methylprop-2-enoate
PubChem CID139674274
Molecular FormulaC17H20O6
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name2-(2-phenoxy-2-prop-2-enoyloxyethoxy)ethyl 2-methylprop-2-enoate
SMILESC=CC(=O)OC(COCCOC(=O)C(=C)C)Oc1ccccc1
InChIInChI=1S/C17H20O6/c1-4-15(18)23-16(22-14-8-6-5-7-9-14)12-20-10-11-21-17(19)13(2)3/h4-9,16H,1-2,10-12H2,3H3
InChIKeyCFMOCHRZPIYHFW-UHFFFAOYSA-N
XLogP2.26
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxy-2-prop-2-enoyloxyethoxy)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(2-phenoxy-2-prop-2-enoyloxyethoxy)ethyl 2-methylprop-2-enoate (CID 139674274) is 2-(2-phenoxy-2-prop-2-enoyloxyethoxy)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(2-phenoxy-2-prop-2-enoyloxyethoxy)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(2-phenoxy-2-prop-2-enoyloxyethoxy)ethyl 2-methylprop-2-enoate is C=CC(=O)OC(COCCOC(=O)C(=C)C)Oc1ccccc1.
What is the InChIKey of 2-(2-phenoxy-2-prop-2-enoyloxyethoxy)ethyl 2-methylprop-2-enoate?
The InChIKey is CFMOCHRZPIYHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O6/c1-4-15(18)23-16(22-14-8-6-5-7-9-14)12-20-10-11-21-17(19)13(2)3/h4-9,16H,1-2,10-12H2,3H3.
What are the key properties of 2-(2-phenoxy-2-prop-2-enoyloxyethoxy)ethyl 2-methylprop-2-enoate?
2-(2-phenoxy-2-prop-2-enoyloxyethoxy)ethyl 2-methylprop-2-enoate has a molecular weight of 320.34 g/mol, XLogP of 2.26, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxy-2-prop-2-enoyloxyethoxy)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 139674274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).