2-(oxiran-2-ylmethoxy)ethanol;prop-2-enoic acid

C8H14O5 — CID 158133207

IUPAC2-(oxiran-2-ylmethoxy)ethanol;prop-2-enoic acid
SMILESC=CC(=O)O.OCCOCC1CO1
InChIInChI=1S/C5H10O3.C3H4O2/c6-1-2-7-3-5-4-8-5;1-2-3(4)5/h5-6H,1-4H2;2H,1H2,(H,4,5)
InChIKeyFTAMCXFFEOOTQC-UHFFFAOYSA-N
MW190.19 g/mol
LogP-0.35
Rot. Bonds5

About 2-(oxiran-2-ylmethoxy)ethanol;prop-2-enoic acid

2-(oxiran-2-ylmethoxy)ethanol;prop-2-enoic acid (PubChem CID 158133207) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethoxy)ethanol;prop-2-enoic acid.

Molecular Properties

Compound Name2-(oxiran-2-ylmethoxy)ethanol;prop-2-enoic acid
PubChem CID158133207
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name2-(oxiran-2-ylmethoxy)ethanol;prop-2-enoic acid
SMILESC=CC(=O)O.OCCOCC1CO1
InChIInChI=1S/C5H10O3.C3H4O2/c6-1-2-7-3-5-4-8-5;1-2-3(4)5/h5-6H,1-4H2;2H,1H2,(H,4,5)
InChIKeyFTAMCXFFEOOTQC-UHFFFAOYSA-N
XLogP-0.35
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(oxiran-2-ylmethoxymethyl)oxirane;propane-1,2,3-triol;prop-2-enoic acid
CID 87308425
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 154070356
2-(2-hydroxyethoxy)ethanol;hexakis(prop-2-enoic acid)
CID 161223084
tris(2-(2-hydroxyethoxy)ethanol);prop-2-enoic acid
CID 173161681
6-(oxiran-2-ylmethoxy)hexyl prop-2-enoate
CID 87786721
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;prop-2-enoic acid
CID 88626214
2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;prop-2-enoic acid
CID 87433699
2-[1-(oxiran-2-ylmethoxy)propan-2-yloxymethyl]oxirane;prop-2-enoic acid
CID 87064307
ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;tetrakis(prop-1-ene)
CID 173030236
ethanol;2-(2-hydroxyethoxy)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 135339306
bis[2-(oxiran-2-ylmethoxy)ethyl] (Z)-but-2-enedioate
CID 88755301
2-(2-hydroxyethylperoxy)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174579624

Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethoxy)ethanol;prop-2-enoic acid?
The IUPAC name of 2-(oxiran-2-ylmethoxy)ethanol;prop-2-enoic acid (CID 158133207) is 2-(oxiran-2-ylmethoxy)ethanol;prop-2-enoic acid.
What is the SMILES notation for 2-(oxiran-2-ylmethoxy)ethanol;prop-2-enoic acid?
The canonical SMILES for 2-(oxiran-2-ylmethoxy)ethanol;prop-2-enoic acid is C=CC(=O)O.OCCOCC1CO1.
What is the InChIKey of 2-(oxiran-2-ylmethoxy)ethanol;prop-2-enoic acid?
The InChIKey is FTAMCXFFEOOTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.C3H4O2/c6-1-2-7-3-5-4-8-5;1-2-3(4)5/h5-6H,1-4H2;2H,1H2,(H,4,5).
What are the key properties of 2-(oxiran-2-ylmethoxy)ethanol;prop-2-enoic acid?
2-(oxiran-2-ylmethoxy)ethanol;prop-2-enoic acid has a molecular weight of 190.19 g/mol, XLogP of -0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethoxy)ethanol;prop-2-enoic acid is sourced from PubChem (CID 158133207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).