2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-[3-(2-methylprop-2-enoyloxy)propoxy]benzoate

C22H28O8 — CID 118333772

IUPAC2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-[3-(2-methylprop-2-enoyloxy)propoxy]benzoate
SMILESC=C(C)C(=O)OCCCOc1ccccc1C(=O)OCCOCCOC(=O)C(=C)C
InChIInChI=1S/C22H28O8/c1-16(2)20(23)28-11-7-10-27-19-9-6-5-8-18(19)22(25)30-15-13-26-12-14-29-21(24)17(3)4/h5-6,8-9H,1,3,7,10-15H2,2,4H3
InChIKeyRSMLUDBQBVETCL-UHFFFAOYSA-N
MW420.46 g/mol
LogP2.87
Rot. Bonds14

About 2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-[3-(2-methylprop-2-enoyloxy)propoxy]benzoate

2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-[3-(2-methylprop-2-enoyloxy)propoxy]benzoate (PubChem CID 118333772) has the molecular formula C22H28O8 and a molecular weight of 420.46 g/mol. Its IUPAC name is 2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-[3-(2-methylprop-2-enoyloxy)propoxy]benzoate.

Molecular Properties

Compound Name2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-[3-(2-methylprop-2-enoyloxy)propoxy]benzoate
PubChem CID118333772
Molecular FormulaC22H28O8
Molecular Weight420.46 g/mol
Exact Mass420.18
IUPAC Name2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-[3-(2-methylprop-2-enoyloxy)propoxy]benzoate
SMILESC=C(C)C(=O)OCCCOc1ccccc1C(=O)OCCOCCOC(=O)C(=C)C
InChIInChI=1S/C22H28O8/c1-16(2)20(23)28-11-7-10-27-19-9-6-5-8-18(19)22(25)30-15-13-26-12-14-29-21(24)17(3)4/h5-6,8-9H,1,3,7,10-15H2,2,4H3
InChIKeyRSMLUDBQBVETCL-UHFFFAOYSA-N
XLogP2.87
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(2-methylprop-2-enoyloxy)propyl 2-[3-(2-methylprop-2-enoyloxy)propoxy]benzoate
CID 118333815
1-O-(3-hydroxypropyl) 2-O-[2-(2-methylprop-2-enoyloxy)ethyl] benzene-1,2-dicarboxylate
CID 151164300
4-[4-(2-phenylphenoxy)butoxy]butyl 2-methylprop-2-enoate
CID 139671734
pentyl 2-(2-methylprop-2-enoyloxy)benzoate
CID 89120577
3-[2-(2-methylprop-2-enoyloxymethyl)phenoxy]propyl 2-methylprop-2-enoate
CID 118333825
6-(2-methoxyphenoxy)hexyl 2-methylprop-2-enoate
CID 90308739
2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 21252575
dodecyl 2-dodecoxybenzoate
CID 57240468
hexyl 2-hexoxybenzoate
CID 86163108
3-[2-[3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]propyl 2-methylprop-2-enoate
CID 87490108
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]butanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-benzoylbenzoate
CID 158797658
pentyl 2-propoxybenzoate
CID 70564677

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-[3-(2-methylprop-2-enoyloxy)propoxy]benzoate?
The IUPAC name of 2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-[3-(2-methylprop-2-enoyloxy)propoxy]benzoate (CID 118333772) is 2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-[3-(2-methylprop-2-enoyloxy)propoxy]benzoate.
What is the SMILES notation for 2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-[3-(2-methylprop-2-enoyloxy)propoxy]benzoate?
The canonical SMILES for 2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-[3-(2-methylprop-2-enoyloxy)propoxy]benzoate is C=C(C)C(=O)OCCCOc1ccccc1C(=O)OCCOCCOC(=O)C(=C)C.
What is the InChIKey of 2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-[3-(2-methylprop-2-enoyloxy)propoxy]benzoate?
The InChIKey is RSMLUDBQBVETCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O8/c1-16(2)20(23)28-11-7-10-27-19-9-6-5-8-18(19)22(25)30-15-13-26-12-14-29-21(24)17(3)4/h5-6,8-9H,1,3,7,10-15H2,2,4H3.
What are the key properties of 2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-[3-(2-methylprop-2-enoyloxy)propoxy]benzoate?
2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-[3-(2-methylprop-2-enoyloxy)propoxy]benzoate has a molecular weight of 420.46 g/mol, XLogP of 2.87, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-[3-(2-methylprop-2-enoyloxy)propoxy]benzoate is sourced from PubChem (CID 118333772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).