(E)-3-(oxiran-2-yl)prop-2-en-1-ol

C5H8O2 — CID 10996970

IUPAC(E)-3-(oxiran-2-yl)prop-2-en-1-ol
SMILESOC/C=C/C1CO1
InChIInChI=1S/C5H8O2/c6-3-1-2-5-4-7-5/h1-2,5-6H,3-4H2/b2-1+
InChIKeyJTPBYENTZPEFPO-OWOJBTEDSA-N
MW100.12 g/mol
LogP-0.07
Rot. Bonds2

About (E)-3-(oxiran-2-yl)prop-2-en-1-ol

(E)-3-(oxiran-2-yl)prop-2-en-1-ol (PubChem CID 10996970) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is (E)-3-(oxiran-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(oxiran-2-yl)prop-2-en-1-ol
PubChem CID10996970
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name(E)-3-(oxiran-2-yl)prop-2-en-1-ol
SMILESOC/C=C/C1CO1
InChIInChI=1S/C5H8O2/c6-3-1-2-5-4-7-5/h1-2,5-6H,3-4H2/b2-1+
InChIKeyJTPBYENTZPEFPO-OWOJBTEDSA-N
XLogP-0.07
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (E)-3-(oxiran-2-yl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(oxiran-2-yl)prop-2-en-1-ol (CID 10996970) is (E)-3-(oxiran-2-yl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(oxiran-2-yl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(oxiran-2-yl)prop-2-en-1-ol is OC/C=C/C1CO1.
What is the InChIKey of (E)-3-(oxiran-2-yl)prop-2-en-1-ol?
The InChIKey is JTPBYENTZPEFPO-OWOJBTEDSA-N. The full InChI is InChI=1S/C5H8O2/c6-3-1-2-5-4-7-5/h1-2,5-6H,3-4H2/b2-1+.
What are the key properties of (E)-3-(oxiran-2-yl)prop-2-en-1-ol?
(E)-3-(oxiran-2-yl)prop-2-en-1-ol has a molecular weight of 100.12 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(oxiran-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 10996970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).