ethoxyethane;propane-1,2-diol;prop-2-enyl prop-2-enoate

C13H26O5 — CID 87555404

IUPACethoxyethane;propane-1,2-diol;prop-2-enyl prop-2-enoate
SMILESC=CCOC(=O)C=C.CC(O)CO.CCOCC
InChIInChI=1S/C6H8O2.C4H10O.C3H8O2/c1-3-5-8-6(7)4-2;1-3-5-4-2;1-3(5)2-4/h3-4H,1-2,5H2;3-4H2,1-2H3;3-5H,2H2,1H3
InChIKeyJTAGUKKGTKQYLF-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.30
Rot. Bonds6

About ethoxyethane;propane-1,2-diol;prop-2-enyl prop-2-enoate

ethoxyethane;propane-1,2-diol;prop-2-enyl prop-2-enoate (PubChem CID 87555404) has the molecular formula C13H26O5 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethoxyethane;propane-1,2-diol;prop-2-enyl prop-2-enoate.

Molecular Properties

Compound Nameethoxyethane;propane-1,2-diol;prop-2-enyl prop-2-enoate
PubChem CID87555404
Molecular FormulaC13H26O5
Molecular Weight262.35 g/mol
Exact Mass262.18
IUPAC Nameethoxyethane;propane-1,2-diol;prop-2-enyl prop-2-enoate
SMILESC=CCOC(=O)C=C.CC(O)CO.CCOCC
InChIInChI=1S/C6H8O2.C4H10O.C3H8O2/c1-3-5-8-6(7)4-2;1-3-5-4-2;1-3(5)2-4/h3-4H,1-2,5H2;3-4H2,1-2H3;3-5H,2H2,1H3
InChIKeyJTAGUKKGTKQYLF-UHFFFAOYSA-N
XLogP1.30
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl prop-2-enoate;propane-1,2-diol;prop-2-enoic acid
CID 174768003
methane;prop-2-enyl prop-2-enoate
CID 87568259
ethene;ethoxyethane;propane-1,2-diol
CID 87065647
ethoxyethane;2-hydroxyethyl prop-2-enoate
CID 87338158
buta-1,3-diene;prop-2-enyl prop-2-enoate
CID 87253709
propane-1,2-diol;sulfanyl prop-2-enoate
CID 159132920
ethane-1,2-diol;ethoxyethane;4-prop-2-enoyloxybutyl prop-2-enoate
CID 155023920
propane-1,2-diol;prop-2-enamide
CID 135223311
tert-butyl prop-2-enoate;propane-1,2-diol
CID 158874239
ethoxyethane;1-hydroxypropyl prop-2-enoate
CID 174930262
ethoxyethane;ethyl acetate;2-methoxyethanol;propane-1,2-diol;prop-1-ene
CID 172999503
2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;propane-1,2-diol
CID 159522271

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;propane-1,2-diol;prop-2-enyl prop-2-enoate?
The IUPAC name of ethoxyethane;propane-1,2-diol;prop-2-enyl prop-2-enoate (CID 87555404) is ethoxyethane;propane-1,2-diol;prop-2-enyl prop-2-enoate.
What is the SMILES notation for ethoxyethane;propane-1,2-diol;prop-2-enyl prop-2-enoate?
The canonical SMILES for ethoxyethane;propane-1,2-diol;prop-2-enyl prop-2-enoate is C=CCOC(=O)C=C.CC(O)CO.CCOCC.
What is the InChIKey of ethoxyethane;propane-1,2-diol;prop-2-enyl prop-2-enoate?
The InChIKey is JTAGUKKGTKQYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2.C4H10O.C3H8O2/c1-3-5-8-6(7)4-2;1-3-5-4-2;1-3(5)2-4/h3-4H,1-2,5H2;3-4H2,1-2H3;3-5H,2H2,1H3.
What are the key properties of ethoxyethane;propane-1,2-diol;prop-2-enyl prop-2-enoate?
ethoxyethane;propane-1,2-diol;prop-2-enyl prop-2-enoate has a molecular weight of 262.35 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;propane-1,2-diol;prop-2-enyl prop-2-enoate is sourced from PubChem (CID 87555404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).