(2S)-2-prop-2-enyloxirane

C5H8O — CID 10749136

IUPAC(2S)-2-prop-2-enyloxirane
SMILESC=CC[C@H]1CO1
InChIInChI=1S/C5H8O/c1-2-3-5-4-6-5/h2,5H,1,3-4H2/t5-/m0/s1
InChIKeySPXXVGQMQJYJJO-YFKPBYRVSA-N
MW84.12 g/mol
LogP0.96
Rot. Bonds2

About (2S)-2-prop-2-enyloxirane

(2S)-2-prop-2-enyloxirane (PubChem CID 10749136) has the molecular formula C5H8O and a molecular weight of 84.12 g/mol. Its IUPAC name is (2S)-2-prop-2-enyloxirane.

Molecular Properties

Compound Name(2S)-2-prop-2-enyloxirane
PubChem CID10749136
Molecular FormulaC5H8O
Molecular Weight84.12 g/mol
Exact Mass84.06
IUPAC Name(2S)-2-prop-2-enyloxirane
SMILESC=CC[C@H]1CO1
InChIInChI=1S/C5H8O/c1-2-3-5-4-6-5/h2,5H,1,3-4H2/t5-/m0/s1
InChIKeySPXXVGQMQJYJJO-YFKPBYRVSA-N
XLogP0.96
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.12
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2S)-2-prop-2-enyloxirane?
The IUPAC name of (2S)-2-prop-2-enyloxirane (CID 10749136) is (2S)-2-prop-2-enyloxirane.
What is the SMILES notation for (2S)-2-prop-2-enyloxirane?
The canonical SMILES for (2S)-2-prop-2-enyloxirane is C=CC[C@H]1CO1.
What is the InChIKey of (2S)-2-prop-2-enyloxirane?
The InChIKey is SPXXVGQMQJYJJO-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H8O/c1-2-3-5-4-6-5/h2,5H,1,3-4H2/t5-/m0/s1.
What are the key properties of (2S)-2-prop-2-enyloxirane?
(2S)-2-prop-2-enyloxirane has a molecular weight of 84.12 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-prop-2-enyloxirane is sourced from PubChem (CID 10749136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).