2-(oxiran-2-ylmethoxy)but-3-en-1-ol

C7H12O3 — CID 22465181

IUPAC2-(oxiran-2-ylmethoxy)but-3-en-1-ol
SMILESC=CC(CO)OCC1CO1
InChIInChI=1S/C7H12O3/c1-2-6(3-8)9-4-7-5-10-7/h2,6-8H,1,3-5H2
InChIKeyAHXZDKFSYLCESU-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.05
Rot. Bonds5

About 2-(oxiran-2-ylmethoxy)but-3-en-1-ol

2-(oxiran-2-ylmethoxy)but-3-en-1-ol (PubChem CID 22465181) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethoxy)but-3-en-1-ol.

Molecular Properties

Compound Name2-(oxiran-2-ylmethoxy)but-3-en-1-ol
PubChem CID22465181
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name2-(oxiran-2-ylmethoxy)but-3-en-1-ol
SMILESC=CC(CO)OCC1CO1
InChIInChI=1S/C7H12O3/c1-2-6(3-8)9-4-7-5-10-7/h2,6-8H,1,3-5H2
InChIKeyAHXZDKFSYLCESU-UHFFFAOYSA-N
XLogP-0.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.05
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 2-(oxiran-2-ylmethoxy)but-3-en-1-ol?
The IUPAC name of 2-(oxiran-2-ylmethoxy)but-3-en-1-ol (CID 22465181) is 2-(oxiran-2-ylmethoxy)but-3-en-1-ol.
What is the SMILES notation for 2-(oxiran-2-ylmethoxy)but-3-en-1-ol?
The canonical SMILES for 2-(oxiran-2-ylmethoxy)but-3-en-1-ol is C=CC(CO)OCC1CO1.
What is the InChIKey of 2-(oxiran-2-ylmethoxy)but-3-en-1-ol?
The InChIKey is AHXZDKFSYLCESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-2-6(3-8)9-4-7-5-10-7/h2,6-8H,1,3-5H2.
What are the key properties of 2-(oxiran-2-ylmethoxy)but-3-en-1-ol?
2-(oxiran-2-ylmethoxy)but-3-en-1-ol has a molecular weight of 144.17 g/mol, XLogP of -0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethoxy)but-3-en-1-ol is sourced from PubChem (CID 22465181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).