2-(prop-2-enoxymethyl)oxiran-2-ol

C6H10O3 — CID 141346894

IUPAC2-(prop-2-enoxymethyl)oxiran-2-ol
SMILESC=CCOCC1(O)CO1
InChIInChI=1S/C6H10O3/c1-2-3-8-4-6(7)5-9-6/h2,7H,1,3-5H2
InChIKeyQPYFAGYPRHKTKM-UHFFFAOYSA-N
MW130.14 g/mol
LogP-0.09
Rot. Bonds4

About 2-(prop-2-enoxymethyl)oxiran-2-ol

2-(prop-2-enoxymethyl)oxiran-2-ol (PubChem CID 141346894) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 2-(prop-2-enoxymethyl)oxiran-2-ol.

Molecular Properties

Compound Name2-(prop-2-enoxymethyl)oxiran-2-ol
PubChem CID141346894
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name2-(prop-2-enoxymethyl)oxiran-2-ol
SMILESC=CCOCC1(O)CO1
InChIInChI=1S/C6H10O3/c1-2-3-8-4-6(7)5-9-6/h2,7H,1,3-5H2
InChIKeyQPYFAGYPRHKTKM-UHFFFAOYSA-N
XLogP-0.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(prop-2-enoxymethyl)oxiran-2-ol?
The IUPAC name of 2-(prop-2-enoxymethyl)oxiran-2-ol (CID 141346894) is 2-(prop-2-enoxymethyl)oxiran-2-ol.
What is the SMILES notation for 2-(prop-2-enoxymethyl)oxiran-2-ol?
The canonical SMILES for 2-(prop-2-enoxymethyl)oxiran-2-ol is C=CCOCC1(O)CO1.
What is the InChIKey of 2-(prop-2-enoxymethyl)oxiran-2-ol?
The InChIKey is QPYFAGYPRHKTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-2-3-8-4-6(7)5-9-6/h2,7H,1,3-5H2.
What are the key properties of 2-(prop-2-enoxymethyl)oxiran-2-ol?
2-(prop-2-enoxymethyl)oxiran-2-ol has a molecular weight of 130.14 g/mol, XLogP of -0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enoxymethyl)oxiran-2-ol is sourced from PubChem (CID 141346894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).