(2S,3S)-2-ethenyl-3-propan-2-yloxirane

C7H12O — CID 134928257

IUPAC(2S,3S)-2-ethenyl-3-propan-2-yloxirane
SMILESC=C[C@@H]1O[C@H]1C(C)C
InChIInChI=1S/C7H12O/c1-4-6-7(8-6)5(2)3/h4-7H,1H2,2-3H3/t6-,7-/m0/s1
InChIKeyRFBDBLSVNCYCGP-BQBZGAKWSA-N
MW112.17 g/mol
LogP1.60
Rot. Bonds2

About (2S,3S)-2-ethenyl-3-propan-2-yloxirane

(2S,3S)-2-ethenyl-3-propan-2-yloxirane (PubChem CID 134928257) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is (2S,3S)-2-ethenyl-3-propan-2-yloxirane.

Molecular Properties

Compound Name(2S,3S)-2-ethenyl-3-propan-2-yloxirane
PubChem CID134928257
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name(2S,3S)-2-ethenyl-3-propan-2-yloxirane
SMILESC=C[C@@H]1O[C@H]1C(C)C
InChIInChI=1S/C7H12O/c1-4-6-7(8-6)5(2)3/h4-7H,1H2,2-3H3/t6-,7-/m0/s1
InChIKeyRFBDBLSVNCYCGP-BQBZGAKWSA-N
XLogP1.60
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.60
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-propan-2-yloxirane?
The IUPAC name of (2S,3S)-2-ethenyl-3-propan-2-yloxirane (CID 134928257) is (2S,3S)-2-ethenyl-3-propan-2-yloxirane.
What is the SMILES notation for (2S,3S)-2-ethenyl-3-propan-2-yloxirane?
The canonical SMILES for (2S,3S)-2-ethenyl-3-propan-2-yloxirane is C=C[C@@H]1O[C@H]1C(C)C.
What is the InChIKey of (2S,3S)-2-ethenyl-3-propan-2-yloxirane?
The InChIKey is RFBDBLSVNCYCGP-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H12O/c1-4-6-7(8-6)5(2)3/h4-7H,1H2,2-3H3/t6-,7-/m0/s1.
What are the key properties of (2S,3S)-2-ethenyl-3-propan-2-yloxirane?
(2S,3S)-2-ethenyl-3-propan-2-yloxirane has a molecular weight of 112.17 g/mol, XLogP of 1.60, 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-propan-2-yloxirane is sourced from PubChem (CID 134928257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).