[1-(oxiran-2-yl)-1-[1-(oxiran-2-yl)-1-prop-2-enoyloxyethoxy]ethyl] prop-2-enoate

C14H18O7 — CID 141266638

IUPAC[1-(oxiran-2-yl)-1-[1-(oxiran-2-yl)-1-prop-2-enoyloxyethoxy]ethyl] prop-2-enoate
SMILESC=CC(=O)OC(C)(OC(C)(OC(=O)C=C)C1CO1)C1CO1
InChIInChI=1S/C14H18O7/c1-5-11(15)19-13(3,9-7-17-9)21-14(4,10-8-18-10)20-12(16)6-2/h5-6,9-10H,1-2,7-8H2,3-4H3
InChIKeyOMZMBZJHHCRAHP-UHFFFAOYSA-N
MW298.29 g/mol
LogP0.69
Rot. Bonds8

About [1-(oxiran-2-yl)-1-[1-(oxiran-2-yl)-1-prop-2-enoyloxyethoxy]ethyl] prop-2-enoate

[1-(oxiran-2-yl)-1-[1-(oxiran-2-yl)-1-prop-2-enoyloxyethoxy]ethyl] prop-2-enoate (PubChem CID 141266638) has the molecular formula C14H18O7 and a molecular weight of 298.29 g/mol. Its IUPAC name is [1-(oxiran-2-yl)-1-[1-(oxiran-2-yl)-1-prop-2-enoyloxyethoxy]ethyl] prop-2-enoate.

Molecular Properties

Compound Name[1-(oxiran-2-yl)-1-[1-(oxiran-2-yl)-1-prop-2-enoyloxyethoxy]ethyl] prop-2-enoate
PubChem CID141266638
Molecular FormulaC14H18O7
Molecular Weight298.29 g/mol
Exact Mass298.11
IUPAC Name[1-(oxiran-2-yl)-1-[1-(oxiran-2-yl)-1-prop-2-enoyloxyethoxy]ethyl] prop-2-enoate
SMILESC=CC(=O)OC(C)(OC(C)(OC(=O)C=C)C1CO1)C1CO1
InChIInChI=1S/C14H18O7/c1-5-11(15)19-13(3,9-7-17-9)21-14(4,10-8-18-10)20-12(16)6-2/h5-6,9-10H,1-2,7-8H2,3-4H3
InChIKeyOMZMBZJHHCRAHP-UHFFFAOYSA-N
XLogP0.69
TPSA86.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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

[oxiran-2-yl-di(prop-2-enoyloxy)methyl] prop-2-enoate
CID 88741656
tert-butyl prop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174535709
2,3,3-tri(prop-2-enoyloxy)butan-2-yl prop-2-enoate
CID 141152964
tert-butyl prop-2-enoate
CID 158231977
tert-butyl prop-2-enoate;cyclopentatetracontane
CID 174869509
tert-butyl prop-2-enoate;cycloicosane
CID 174934602
tert-butyl prop-2-enoate;cyclononadecane
CID 174964635
bis(2-prop-2-enoyloxypropan-2-yl) (Z)-but-2-enedioate
CID 88763675
tert-butyl prop-2-enoate;1,4-dioxane
CID 174977908
tert-butyl prop-2-enoate;methanol
CID 174833528
2-hydroxypropan-2-yl prop-2-enoate
CID 22726323
azane;1,1-diaminoethyl prop-2-enoate;hydrochloride
CID 175516983

Frequently Asked Questions

What is the IUPAC name of [1-(oxiran-2-yl)-1-[1-(oxiran-2-yl)-1-prop-2-enoyloxyethoxy]ethyl] prop-2-enoate?
The IUPAC name of [1-(oxiran-2-yl)-1-[1-(oxiran-2-yl)-1-prop-2-enoyloxyethoxy]ethyl] prop-2-enoate (CID 141266638) is [1-(oxiran-2-yl)-1-[1-(oxiran-2-yl)-1-prop-2-enoyloxyethoxy]ethyl] prop-2-enoate.
What is the SMILES notation for [1-(oxiran-2-yl)-1-[1-(oxiran-2-yl)-1-prop-2-enoyloxyethoxy]ethyl] prop-2-enoate?
The canonical SMILES for [1-(oxiran-2-yl)-1-[1-(oxiran-2-yl)-1-prop-2-enoyloxyethoxy]ethyl] prop-2-enoate is C=CC(=O)OC(C)(OC(C)(OC(=O)C=C)C1CO1)C1CO1.
What is the InChIKey of [1-(oxiran-2-yl)-1-[1-(oxiran-2-yl)-1-prop-2-enoyloxyethoxy]ethyl] prop-2-enoate?
The InChIKey is OMZMBZJHHCRAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O7/c1-5-11(15)19-13(3,9-7-17-9)21-14(4,10-8-18-10)20-12(16)6-2/h5-6,9-10H,1-2,7-8H2,3-4H3.
What are the key properties of [1-(oxiran-2-yl)-1-[1-(oxiran-2-yl)-1-prop-2-enoyloxyethoxy]ethyl] prop-2-enoate?
[1-(oxiran-2-yl)-1-[1-(oxiran-2-yl)-1-prop-2-enoyloxyethoxy]ethyl] prop-2-enoate has a molecular weight of 298.29 g/mol, XLogP of 0.69, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxiran-2-yl)-1-[1-(oxiran-2-yl)-1-prop-2-enoyloxyethoxy]ethyl] prop-2-enoate is sourced from PubChem (CID 141266638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).