oxiran-2-ylmethyl 3-(2-hydroxyethoxy)-2-(oxiran-2-ylmethyl)prop-2-enoate

C11H16O6 — CID 173005274

IUPACoxiran-2-ylmethyl 3-(2-hydroxyethoxy)-2-(oxiran-2-ylmethyl)prop-2-enoate
SMILESO=C(OCC1CO1)C(=COCCO)CC1CO1
InChIInChI=1S/C11H16O6/c12-1-2-14-4-8(3-9-5-15-9)11(13)17-7-10-6-16-10/h4,9-10,12H,1-3,5-7H2
InChIKeyAOSBHCILXRIHIF-UHFFFAOYSA-N
MW244.24 g/mol
LogP-0.39
Rot. Bonds8

About oxiran-2-ylmethyl 3-(2-hydroxyethoxy)-2-(oxiran-2-ylmethyl)prop-2-enoate

oxiran-2-ylmethyl 3-(2-hydroxyethoxy)-2-(oxiran-2-ylmethyl)prop-2-enoate (PubChem CID 173005274) has the molecular formula C11H16O6 and a molecular weight of 244.24 g/mol. Its IUPAC name is oxiran-2-ylmethyl 3-(2-hydroxyethoxy)-2-(oxiran-2-ylmethyl)prop-2-enoate.

Molecular Properties

Compound Nameoxiran-2-ylmethyl 3-(2-hydroxyethoxy)-2-(oxiran-2-ylmethyl)prop-2-enoate
PubChem CID173005274
Molecular FormulaC11H16O6
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Nameoxiran-2-ylmethyl 3-(2-hydroxyethoxy)-2-(oxiran-2-ylmethyl)prop-2-enoate
SMILESO=C(OCC1CO1)C(=COCCO)CC1CO1
InChIInChI=1S/C11H16O6/c12-1-2-14-4-8(3-9-5-15-9)11(13)17-7-10-6-16-10/h4,9-10,12H,1-3,5-7H2
InChIKeyAOSBHCILXRIHIF-UHFFFAOYSA-N
XLogP-0.39
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze oxiran-2-ylmethyl 3-(2-hydroxyethoxy)-2-(oxiran-2-ylmethyl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-O-(3-hydroxypropyl) 2-O-(oxiran-2-ylmethyl) oxalate
CID 129215406
oxiran-2-ylmethyl 2-(oxiran-2-yl)acetate
CID 22381567
oxiran-2-ylmethyl 3-ethoxy-2-methylprop-2-enoate
CID 175102529
2-hydroxyethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 86750009
2-hydroxyethyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate;prop-2-enenitrile
CID 159846349
bis(oxiran-2-ylmethyl) carbonate
CID 13170402
oxiran-2-ylmethyl 2-butoxybut-2-enoate
CID 174830768
4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87727049
[(2S)-oxiran-2-yl]methyl (2S)-oxirane-2-carboxylate
CID 129390267
[(2R)-oxiran-2-yl]methyl (2R)-oxirane-2-carboxylate
CID 129390270
[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 904806
formaldehyde;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 159353031

Frequently Asked Questions

What is the IUPAC name of oxiran-2-ylmethyl 3-(2-hydroxyethoxy)-2-(oxiran-2-ylmethyl)prop-2-enoate?
The IUPAC name of oxiran-2-ylmethyl 3-(2-hydroxyethoxy)-2-(oxiran-2-ylmethyl)prop-2-enoate (CID 173005274) is oxiran-2-ylmethyl 3-(2-hydroxyethoxy)-2-(oxiran-2-ylmethyl)prop-2-enoate.
What is the SMILES notation for oxiran-2-ylmethyl 3-(2-hydroxyethoxy)-2-(oxiran-2-ylmethyl)prop-2-enoate?
The canonical SMILES for oxiran-2-ylmethyl 3-(2-hydroxyethoxy)-2-(oxiran-2-ylmethyl)prop-2-enoate is O=C(OCC1CO1)C(=COCCO)CC1CO1.
What is the InChIKey of oxiran-2-ylmethyl 3-(2-hydroxyethoxy)-2-(oxiran-2-ylmethyl)prop-2-enoate?
The InChIKey is AOSBHCILXRIHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O6/c12-1-2-14-4-8(3-9-5-15-9)11(13)17-7-10-6-16-10/h4,9-10,12H,1-3,5-7H2.
What are the key properties of oxiran-2-ylmethyl 3-(2-hydroxyethoxy)-2-(oxiran-2-ylmethyl)prop-2-enoate?
oxiran-2-ylmethyl 3-(2-hydroxyethoxy)-2-(oxiran-2-ylmethyl)prop-2-enoate has a molecular weight of 244.24 g/mol, XLogP of -0.39, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethyl 3-(2-hydroxyethoxy)-2-(oxiran-2-ylmethyl)prop-2-enoate is sourced from PubChem (CID 173005274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).