2-[2-(1-ethenoxypropan-2-yloxy)ethoxy]ethyl prop-2-enoate

C12H20O5 — CID 165147394

IUPAC2-[2-(1-ethenoxypropan-2-yloxy)ethoxy]ethyl prop-2-enoate
SMILESC=COCC(C)OCCOCCOC(=O)C=C
InChIInChI=1S/C12H20O5/c1-4-12(13)17-9-7-15-6-8-16-11(3)10-14-5-2/h4-5,11H,1-2,6-10H2,3H3
InChIKeyHBHRRNQFHNGHER-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.30
Rot. Bonds11

About 2-[2-(1-ethenoxypropan-2-yloxy)ethoxy]ethyl prop-2-enoate

2-[2-(1-ethenoxypropan-2-yloxy)ethoxy]ethyl prop-2-enoate (PubChem CID 165147394) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[2-(1-ethenoxypropan-2-yloxy)ethoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[2-(1-ethenoxypropan-2-yloxy)ethoxy]ethyl prop-2-enoate
PubChem CID165147394
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Name2-[2-(1-ethenoxypropan-2-yloxy)ethoxy]ethyl prop-2-enoate
SMILESC=COCC(C)OCCOCCOC(=O)C=C
InChIInChI=1S/C12H20O5/c1-4-12(13)17-9-7-15-6-8-16-11(3)10-14-5-2/h4-5,11H,1-2,6-10H2,3H3
InChIKeyHBHRRNQFHNGHER-UHFFFAOYSA-N
XLogP1.30
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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

bis(prop-1-ene);2-[2-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate
CID 118062251
2-[2-[2-(2-prop-2-enoyloxyethoxy)propoxy]propoxy]ethyl prop-2-enoate
CID 154586565
2-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]ethyl prop-2-enoate
CID 135130322
2-(2-hydroperoxypropoxy)ethyl prop-2-enoate
CID 118433563
2-(2-aminopropoxy)ethyl prop-2-enoate
CID 54040503
2-(2-bromopropoxy)ethyl prop-2-enoate
CID 57007921
2-[2,2-bis(ethenoxy)ethoxy]ethyl prop-2-enoate
CID 176551024
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl prop-2-enoate
CID 135130326
2-[hydroxy-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]propyl]phosphoryl]oxyethyl-trimethylazanium
CID 175135780
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate;2-(2-hydroxypropoxy)propan-1-ol
CID 22918006
2-(2-ethenoxyethoxy)propyl acetate
CID 139969470
2-[2-(2-amino-1-iodoethoxy)ethoxy]ethyl prop-2-enoate
CID 146532841

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-ethenoxypropan-2-yloxy)ethoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[2-(1-ethenoxypropan-2-yloxy)ethoxy]ethyl prop-2-enoate (CID 165147394) is 2-[2-(1-ethenoxypropan-2-yloxy)ethoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[2-(1-ethenoxypropan-2-yloxy)ethoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[2-(1-ethenoxypropan-2-yloxy)ethoxy]ethyl prop-2-enoate is C=COCC(C)OCCOCCOC(=O)C=C.
What is the InChIKey of 2-[2-(1-ethenoxypropan-2-yloxy)ethoxy]ethyl prop-2-enoate?
The InChIKey is HBHRRNQFHNGHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O5/c1-4-12(13)17-9-7-15-6-8-16-11(3)10-14-5-2/h4-5,11H,1-2,6-10H2,3H3.
What are the key properties of 2-[2-(1-ethenoxypropan-2-yloxy)ethoxy]ethyl prop-2-enoate?
2-[2-(1-ethenoxypropan-2-yloxy)ethoxy]ethyl prop-2-enoate has a molecular weight of 244.29 g/mol, XLogP of 1.30, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-ethenoxypropan-2-yloxy)ethoxy]ethyl prop-2-enoate is sourced from PubChem (CID 165147394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).