(2S,3S)-2-ethenyl-3-ethyloxirane

C6H10O — CID 134927722

IUPAC(2S,3S)-2-ethenyl-3-ethyloxirane
SMILESC=C[C@@H]1O[C@H]1CC
InChIInChI=1S/C6H10O/c1-3-5-6(4-2)7-5/h3,5-6H,1,4H2,2H3/t5-,6-/m0/s1
InChIKeyAMXASLDHSQRSDI-WDSKDSINSA-N
MW98.14 g/mol
LogP1.35
Rot. Bonds2

About (2S,3S)-2-ethenyl-3-ethyloxirane

(2S,3S)-2-ethenyl-3-ethyloxirane (PubChem CID 134927722) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is (2S,3S)-2-ethenyl-3-ethyloxirane.

Molecular Properties

Compound Name(2S,3S)-2-ethenyl-3-ethyloxirane
PubChem CID134927722
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name(2S,3S)-2-ethenyl-3-ethyloxirane
SMILESC=C[C@@H]1O[C@H]1CC
InChIInChI=1S/C6H10O/c1-3-5-6(4-2)7-5/h3,5-6H,1,4H2,2H3/t5-,6-/m0/s1
InChIKeyAMXASLDHSQRSDI-WDSKDSINSA-N
XLogP1.35
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 51.35
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,3S)-2-ethenyl-3-ethyloxirane?
The IUPAC name of (2S,3S)-2-ethenyl-3-ethyloxirane (CID 134927722) is (2S,3S)-2-ethenyl-3-ethyloxirane.
What is the SMILES notation for (2S,3S)-2-ethenyl-3-ethyloxirane?
The canonical SMILES for (2S,3S)-2-ethenyl-3-ethyloxirane is C=C[C@@H]1O[C@H]1CC.
What is the InChIKey of (2S,3S)-2-ethenyl-3-ethyloxirane?
The InChIKey is AMXASLDHSQRSDI-WDSKDSINSA-N. The full InChI is InChI=1S/C6H10O/c1-3-5-6(4-2)7-5/h3,5-6H,1,4H2,2H3/t5-,6-/m0/s1.
What are the key properties of (2S,3S)-2-ethenyl-3-ethyloxirane?
(2S,3S)-2-ethenyl-3-ethyloxirane has a molecular weight of 98.14 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-ethenyl-3-ethyloxirane is sourced from PubChem (CID 134927722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).