(2S)-2-prop-1-en-2-yloxirane

C5H8O — CID 12553879

IUPAC(2S)-2-prop-1-en-2-yloxirane
SMILESC=C(C)[C@H]1CO1
InChIInChI=1S/C5H8O/c1-4(2)5-3-6-5/h5H,1,3H2,2H3/t5-/m1/s1
InChIKeyJZQHTTYHPIAPCZ-RXMQYKEDSA-N
MW84.12 g/mol
LogP0.96
Rot. Bonds1

About (2S)-2-prop-1-en-2-yloxirane

(2S)-2-prop-1-en-2-yloxirane (PubChem CID 12553879) has the molecular formula C5H8O and a molecular weight of 84.12 g/mol. Its IUPAC name is (2S)-2-prop-1-en-2-yloxirane.

Molecular Properties

Compound Name(2S)-2-prop-1-en-2-yloxirane
PubChem CID12553879
Molecular FormulaC5H8O
Molecular Weight84.12 g/mol
Exact Mass84.06
IUPAC Name(2S)-2-prop-1-en-2-yloxirane
SMILESC=C(C)[C@H]1CO1
InChIInChI=1S/C5H8O/c1-4(2)5-3-6-5/h5H,1,3H2,2H3/t5-/m1/s1
InChIKeyJZQHTTYHPIAPCZ-RXMQYKEDSA-N
XLogP0.96
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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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Related Compounds

3,4-Epoxy-2-methyl-1-butene
CID 154909
2-Methyl-2-(prop-1-en-2-yl)oxirane
CID 12522356
(2S,3S)-2-Ethyl-3-isopropenyl-oxirane
CID 21723152
3-Methoxy-2-methyl-1-butene
CID 559009
2-Methyl-3-prop-1-en-2-yloxirane
CID 12522360
2-Ethyl-3-prop-1-en-2-yloxirane
CID 12522361
3,4-Dimethoxy-2-methylbut-1-ene
CID 152458194
2-[(E)-pent-2-en-2-yl]oxirane
CID 135014051
(2R)-2-methyl-2-prop-1-en-2-yloxirane
CID 154718513
(2S*,3R*)-2-Isopropenyl-3-methyl-oxirane
CID 21723150
(2S*,3S*)-2-Isopropenyl-3-methyl-oxirane
CID 21723151
1-Methoxy-2-methylidenecyclopropane
CID 14290068

Frequently Asked Questions

What is the IUPAC name of (2S)-2-prop-1-en-2-yloxirane?
The IUPAC name of (2S)-2-prop-1-en-2-yloxirane (CID 12553879) is (2S)-2-prop-1-en-2-yloxirane.
What is the SMILES notation for (2S)-2-prop-1-en-2-yloxirane?
The canonical SMILES for (2S)-2-prop-1-en-2-yloxirane is C=C(C)[C@H]1CO1.
What is the InChIKey of (2S)-2-prop-1-en-2-yloxirane?
The InChIKey is JZQHTTYHPIAPCZ-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H8O/c1-4(2)5-3-6-5/h5H,1,3H2,2H3/t5-/m1/s1.
What are the key properties of (2S)-2-prop-1-en-2-yloxirane?
(2S)-2-prop-1-en-2-yloxirane has a molecular weight of 84.12 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-prop-1-en-2-yloxirane is sourced from PubChem (CID 12553879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).