ethoxyethane;methyl prop-2-enoate

C8H16O3 — CID 22491622

IUPACethoxyethane;methyl prop-2-enoate
SMILESC=CC(=O)OC.CCOCC
InChIInChI=1S/C4H6O2.C4H10O/c1-3-4(5)6-2;1-3-5-4-2/h3H,1H2,2H3;3-4H2,1-2H3
InChIKeyDOMLXBPXLNDFAB-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.39
Rot. Bonds3

About ethoxyethane;methyl prop-2-enoate

ethoxyethane;methyl prop-2-enoate (PubChem CID 22491622) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is ethoxyethane;methyl prop-2-enoate.

Molecular Properties

Compound Nameethoxyethane;methyl prop-2-enoate
PubChem CID22491622
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Nameethoxyethane;methyl prop-2-enoate
SMILESC=CC(=O)OC.CCOCC
InChIInChI=1S/C4H6O2.C4H10O/c1-3-4(5)6-2;1-3-5-4-2/h3H,1H2,2H3;3-4H2,1-2H3
InChIKeyDOMLXBPXLNDFAB-UHFFFAOYSA-N
XLogP1.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethoxyethane;methyl prop-2-enoate?
The IUPAC name of ethoxyethane;methyl prop-2-enoate (CID 22491622) is ethoxyethane;methyl prop-2-enoate.
What is the SMILES notation for ethoxyethane;methyl prop-2-enoate?
The canonical SMILES for ethoxyethane;methyl prop-2-enoate is C=CC(=O)OC.CCOCC.
What is the InChIKey of ethoxyethane;methyl prop-2-enoate?
The InChIKey is DOMLXBPXLNDFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C4H10O/c1-3-4(5)6-2;1-3-5-4-2/h3H,1H2,2H3;3-4H2,1-2H3.
What are the key properties of ethoxyethane;methyl prop-2-enoate?
ethoxyethane;methyl prop-2-enoate has a molecular weight of 160.21 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;methyl prop-2-enoate is sourced from PubChem (CID 22491622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).