ethoxyethane;1-(oxiran-2-yl)but-3-en-1-ol

C10H20O3 — CID 87503518

IUPACethoxyethane;1-(oxiran-2-yl)but-3-en-1-ol
SMILESC=CCC(O)C1CO1.CCOCC
InChIInChI=1S/C6H10O2.C4H10O/c1-2-3-5(7)6-4-8-6;1-3-5-4-2/h2,5-7H,1,3-4H2;3-4H2,1-2H3
InChIKeyUHTHVQUBRKBFHX-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.37
Rot. Bonds5

About ethoxyethane;1-(oxiran-2-yl)but-3-en-1-ol

ethoxyethane;1-(oxiran-2-yl)but-3-en-1-ol (PubChem CID 87503518) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is ethoxyethane;1-(oxiran-2-yl)but-3-en-1-ol.

Molecular Properties

Compound Nameethoxyethane;1-(oxiran-2-yl)but-3-en-1-ol
PubChem CID87503518
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Nameethoxyethane;1-(oxiran-2-yl)but-3-en-1-ol
SMILESC=CCC(O)C1CO1.CCOCC
InChIInChI=1S/C6H10O2.C4H10O/c1-2-3-5(7)6-4-8-6;1-3-5-4-2/h2,5-7H,1,3-4H2;3-4H2,1-2H3
InChIKeyUHTHVQUBRKBFHX-UHFFFAOYSA-N
XLogP1.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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;1-(oxiran-2-yl)but-3-en-1-ol?
The IUPAC name of ethoxyethane;1-(oxiran-2-yl)but-3-en-1-ol (CID 87503518) is ethoxyethane;1-(oxiran-2-yl)but-3-en-1-ol.
What is the SMILES notation for ethoxyethane;1-(oxiran-2-yl)but-3-en-1-ol?
The canonical SMILES for ethoxyethane;1-(oxiran-2-yl)but-3-en-1-ol is C=CCC(O)C1CO1.CCOCC.
What is the InChIKey of ethoxyethane;1-(oxiran-2-yl)but-3-en-1-ol?
The InChIKey is UHTHVQUBRKBFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.C4H10O/c1-2-3-5(7)6-4-8-6;1-3-5-4-2/h2,5-7H,1,3-4H2;3-4H2,1-2H3.
What are the key properties of ethoxyethane;1-(oxiran-2-yl)but-3-en-1-ol?
ethoxyethane;1-(oxiran-2-yl)but-3-en-1-ol has a molecular weight of 188.27 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;1-(oxiran-2-yl)but-3-en-1-ol is sourced from PubChem (CID 87503518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).