2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl 4-(oxiran-2-yl)butanoate

C15H24O7 — CID 176908538

IUPAC2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl 4-(oxiran-2-yl)butanoate
SMILESC=CC(=O)OCCOCCOCCOC(=O)CCCC1CO1
InChIInChI=1S/C15H24O7/c1-2-14(16)20-10-8-18-6-7-19-9-11-21-15(17)5-3-4-13-12-22-13/h2,13H,1,3-12H2
InChIKeyCYSHODHUUULVAY-UHFFFAOYSA-N
MW316.35 g/mol
LogP0.86
Rot. Bonds14

About 2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl 4-(oxiran-2-yl)butanoate

2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl 4-(oxiran-2-yl)butanoate (PubChem CID 176908538) has the molecular formula C15H24O7 and a molecular weight of 316.35 g/mol. Its IUPAC name is 2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl 4-(oxiran-2-yl)butanoate.

Molecular Properties

Compound Name2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl 4-(oxiran-2-yl)butanoate
PubChem CID176908538
Molecular FormulaC15H24O7
Molecular Weight316.35 g/mol
Exact Mass316.15
IUPAC Name2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl 4-(oxiran-2-yl)butanoate
SMILESC=CC(=O)OCCOCCOCCOC(=O)CCCC1CO1
InChIInChI=1S/C15H24O7/c1-2-14(16)20-10-8-18-6-7-19-9-11-21-15(17)5-3-4-13-12-22-13/h2,13H,1,3-12H2
InChIKeyCYSHODHUUULVAY-UHFFFAOYSA-N
XLogP0.86
TPSA83.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-prop-2-enoxyethyl 4-prop-2-enoyloxybutanoate
CID 161381501
6-(oxiran-2-ylmethoxy)hexyl prop-2-enoate
CID 87786721
ethyl 4-[(2R)-oxiran-2-yl]butanoate
CID 10607030
2-[2-[2-[6-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 101134249
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-[4-(2-prop-2-enoyloxyethoxy)butanoyloxy]ethyl 2-methylbutanoate
CID 164970807
butyl prop-2-enoate;ethene;2-methylidene-4-(oxiran-2-yl)butanoic acid
CID 87658267
3-[2-[2-(3-prop-2-enoyloxypropoxy)ethoxy]ethoxy]propyl prop-2-enoate
CID 151846925
2-[6-(2-prop-2-enoyloxyethoxy)hexoxy]ethyl propanoate
CID 153320146
hexyl 7-(oxiran-2-yl)heptanoate
CID 170189676
molecular hydrogen;oxolan-2-ylmethyl 4-prop-2-enoyloxybutanoate
CID 158631778
2-(3-hydroxypropoxy)ethyl prop-2-enoate
CID 59345604

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl 4-(oxiran-2-yl)butanoate?
The IUPAC name of 2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl 4-(oxiran-2-yl)butanoate (CID 176908538) is 2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl 4-(oxiran-2-yl)butanoate.
What is the SMILES notation for 2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl 4-(oxiran-2-yl)butanoate?
The canonical SMILES for 2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl 4-(oxiran-2-yl)butanoate is C=CC(=O)OCCOCCOCCOC(=O)CCCC1CO1.
What is the InChIKey of 2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl 4-(oxiran-2-yl)butanoate?
The InChIKey is CYSHODHUUULVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O7/c1-2-14(16)20-10-8-18-6-7-19-9-11-21-15(17)5-3-4-13-12-22-13/h2,13H,1,3-12H2.
What are the key properties of 2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl 4-(oxiran-2-yl)butanoate?
2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl 4-(oxiran-2-yl)butanoate has a molecular weight of 316.35 g/mol, XLogP of 0.86, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl 4-(oxiran-2-yl)butanoate is sourced from PubChem (CID 176908538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).