ethoxyethane;oxiran-2-ylmethyl prop-2-enyl carbonate

C11H20O5 — CID 87577916

IUPACethoxyethane;oxiran-2-ylmethyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OCC1CO1.CCOCC
InChIInChI=1S/C7H10O4.C4H10O/c1-2-3-9-7(8)11-5-6-4-10-6;1-3-5-4-2/h2,6H,1,3-5H2;3-4H2,1-2H3
InChIKeyVLBWPHFGEFABAM-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.77
Rot. Bonds6

About ethoxyethane;oxiran-2-ylmethyl prop-2-enyl carbonate

ethoxyethane;oxiran-2-ylmethyl prop-2-enyl carbonate (PubChem CID 87577916) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is ethoxyethane;oxiran-2-ylmethyl prop-2-enyl carbonate.

Molecular Properties

Compound Nameethoxyethane;oxiran-2-ylmethyl prop-2-enyl carbonate
PubChem CID87577916
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Nameethoxyethane;oxiran-2-ylmethyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OCC1CO1.CCOCC
InChIInChI=1S/C7H10O4.C4H10O/c1-2-3-9-7(8)11-5-6-4-10-6;1-3-5-4-2/h2,6H,1,3-5H2;3-4H2,1-2H3
InChIKeyVLBWPHFGEFABAM-UHFFFAOYSA-N
XLogP1.77
TPSA57.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethoxyethane;oxiran-2-ylmethyl prop-2-enyl carbonate?
The IUPAC name of ethoxyethane;oxiran-2-ylmethyl prop-2-enyl carbonate (CID 87577916) is ethoxyethane;oxiran-2-ylmethyl prop-2-enyl carbonate.
What is the SMILES notation for ethoxyethane;oxiran-2-ylmethyl prop-2-enyl carbonate?
The canonical SMILES for ethoxyethane;oxiran-2-ylmethyl prop-2-enyl carbonate is C=CCOC(=O)OCC1CO1.CCOCC.
What is the InChIKey of ethoxyethane;oxiran-2-ylmethyl prop-2-enyl carbonate?
The InChIKey is VLBWPHFGEFABAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4.C4H10O/c1-2-3-9-7(8)11-5-6-4-10-6;1-3-5-4-2/h2,6H,1,3-5H2;3-4H2,1-2H3.
What are the key properties of ethoxyethane;oxiran-2-ylmethyl prop-2-enyl carbonate?
ethoxyethane;oxiran-2-ylmethyl prop-2-enyl carbonate has a molecular weight of 232.28 g/mol, XLogP of 1.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;oxiran-2-ylmethyl prop-2-enyl carbonate is sourced from PubChem (CID 87577916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).