(2R,3S)-2-[(2S)-butan-2-yl]-3-ethenyloxirane

C8H14O — CID 10558633

IUPAC(2R,3S)-2-[(2S)-butan-2-yl]-3-ethenyloxirane
SMILESC=C[C@@H]1O[C@@H]1[C@@H](C)CC
InChIInChI=1S/C8H14O/c1-4-6(3)8-7(5-2)9-8/h5-8H,2,4H2,1,3H3/t6-,7-,8+/m0/s1
InChIKeyOPJOAZUAZHKFEG-BIIVOSGPSA-N
MW126.20 g/mol
LogP1.99
Rot. Bonds3

About (2R,3S)-2-[(2S)-butan-2-yl]-3-ethenyloxirane

(2R,3S)-2-[(2S)-butan-2-yl]-3-ethenyloxirane (PubChem CID 10558633) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (2R,3S)-2-[(2S)-butan-2-yl]-3-ethenyloxirane.

Molecular Properties

Compound Name(2R,3S)-2-[(2S)-butan-2-yl]-3-ethenyloxirane
PubChem CID10558633
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(2R,3S)-2-[(2S)-butan-2-yl]-3-ethenyloxirane
SMILESC=C[C@@H]1O[C@@H]1[C@@H](C)CC
InChIInChI=1S/C8H14O/c1-4-6(3)8-7(5-2)9-8/h5-8H,2,4H2,1,3H3/t6-,7-,8+/m0/s1
InChIKeyOPJOAZUAZHKFEG-BIIVOSGPSA-N
XLogP1.99
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[(2S)-butan-2-yl]-3-ethenyloxirane?
The IUPAC name of (2R,3S)-2-[(2S)-butan-2-yl]-3-ethenyloxirane (CID 10558633) is (2R,3S)-2-[(2S)-butan-2-yl]-3-ethenyloxirane.
What is the SMILES notation for (2R,3S)-2-[(2S)-butan-2-yl]-3-ethenyloxirane?
The canonical SMILES for (2R,3S)-2-[(2S)-butan-2-yl]-3-ethenyloxirane is C=C[C@@H]1O[C@@H]1[C@@H](C)CC.
What is the InChIKey of (2R,3S)-2-[(2S)-butan-2-yl]-3-ethenyloxirane?
The InChIKey is OPJOAZUAZHKFEG-BIIVOSGPSA-N. The full InChI is InChI=1S/C8H14O/c1-4-6(3)8-7(5-2)9-8/h5-8H,2,4H2,1,3H3/t6-,7-,8+/m0/s1.
What are the key properties of (2R,3S)-2-[(2S)-butan-2-yl]-3-ethenyloxirane?
(2R,3S)-2-[(2S)-butan-2-yl]-3-ethenyloxirane has a molecular weight of 126.20 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[(2S)-butan-2-yl]-3-ethenyloxirane is sourced from PubChem (CID 10558633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).