(2R,3S)-2-tert-butyl-3-ethenyloxirane

C8H14O — CID 10486856

IUPAC(2R,3S)-2-tert-butyl-3-ethenyloxirane
SMILESC=C[C@@H]1O[C@@H]1C(C)(C)C
InChIInChI=1S/C8H14O/c1-5-6-7(9-6)8(2,3)4/h5-7H,1H2,2-4H3/t6-,7-/m0/s1
InChIKeyUSGVZBPRZYFPSO-BQBZGAKWSA-N
MW126.20 g/mol
LogP1.99
Rot. Bonds1

About (2R,3S)-2-tert-butyl-3-ethenyloxirane

(2R,3S)-2-tert-butyl-3-ethenyloxirane (PubChem CID 10486856) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (2R,3S)-2-tert-butyl-3-ethenyloxirane.

Molecular Properties

Compound Name(2R,3S)-2-tert-butyl-3-ethenyloxirane
PubChem CID10486856
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(2R,3S)-2-tert-butyl-3-ethenyloxirane
SMILESC=C[C@@H]1O[C@@H]1C(C)(C)C
InChIInChI=1S/C8H14O/c1-5-6-7(9-6)8(2,3)4/h5-7H,1H2,2-4H3/t6-,7-/m0/s1
InChIKeyUSGVZBPRZYFPSO-BQBZGAKWSA-N
XLogP1.99
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.99
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

Humulene-6,7-oxide
CID 91750424
(2S,3S)-2-ethenyl-3-propan-2-yloxirane
CID 134928257
2-Ethyl-3-vinyloxirane
CID 534767
(2R,3S)-2-ethenyl-3-propan-2-yloxirane
CID 168085840
2-Ethenyl-4,4-dimethyloxolane
CID 14907900
(2S,3S)-2-ethenyl-3-ethyloxirane
CID 134927722
(2R)-2-ethenyl-4,4-dimethyloxolane
CID 134960295
2-Isopropyl-3-vinyloxirane
CID 534739
3-Ethenyl-2,2-diethyloxirane
CID 13003617
(2S,3R)-2-ethenyl-3-propan-2-yloxirane
CID 13010049
5,5-Dimethyl-3-prop-2-enoxyhex-1-ene
CID 54483693
(2R,3S)-2-tert-butyl-3-[(E)-3,3-dimethylbut-1-enyl]oxirane
CID 59907668

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-tert-butyl-3-ethenyloxirane?
The IUPAC name of (2R,3S)-2-tert-butyl-3-ethenyloxirane (CID 10486856) is (2R,3S)-2-tert-butyl-3-ethenyloxirane.
What is the SMILES notation for (2R,3S)-2-tert-butyl-3-ethenyloxirane?
The canonical SMILES for (2R,3S)-2-tert-butyl-3-ethenyloxirane is C=C[C@@H]1O[C@@H]1C(C)(C)C.
What is the InChIKey of (2R,3S)-2-tert-butyl-3-ethenyloxirane?
The InChIKey is USGVZBPRZYFPSO-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H14O/c1-5-6-7(9-6)8(2,3)4/h5-7H,1H2,2-4H3/t6-,7-/m0/s1.
What are the key properties of (2R,3S)-2-tert-butyl-3-ethenyloxirane?
(2R,3S)-2-tert-butyl-3-ethenyloxirane has a molecular weight of 126.20 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-tert-butyl-3-ethenyloxirane is sourced from PubChem (CID 10486856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).