(2S)-2-ethyl-2-methyloxirane

C5H10O — CID 7832547

IUPAC(2S)-2-ethyl-2-methyloxirane
SMILESCC[C@@]1(C)CO1
InChIInChI=1S/C5H10O/c1-3-5(2)4-6-5/h3-4H2,1-2H3/t5-/m0/s1
InChIKeyQZXUQPKFNQQQAJ-YFKPBYRVSA-N
MW86.13 g/mol
LogP1.19
Rot. Bonds1

About (2S)-2-ethyl-2-methyloxirane

(2S)-2-ethyl-2-methyloxirane (PubChem CID 7832547) has the molecular formula C5H10O and a molecular weight of 86.13 g/mol. Its IUPAC name is (2S)-2-ethyl-2-methyloxirane.

Molecular Properties

Compound Name(2S)-2-ethyl-2-methyloxirane
PubChem CID7832547
Molecular FormulaC5H10O
Molecular Weight86.13 g/mol
Exact Mass86.07
IUPAC Name(2S)-2-ethyl-2-methyloxirane
SMILESCC[C@@]1(C)CO1
InChIInChI=1S/C5H10O/c1-3-5(2)4-6-5/h3-4H2,1-2H3/t5-/m0/s1
InChIKeyQZXUQPKFNQQQAJ-YFKPBYRVSA-N
XLogP1.19
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.13
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-2-methyloxirane?
The IUPAC name of (2S)-2-ethyl-2-methyloxirane (CID 7832547) is (2S)-2-ethyl-2-methyloxirane.
What is the SMILES notation for (2S)-2-ethyl-2-methyloxirane?
The canonical SMILES for (2S)-2-ethyl-2-methyloxirane is CC[C@@]1(C)CO1.
What is the InChIKey of (2S)-2-ethyl-2-methyloxirane?
The InChIKey is QZXUQPKFNQQQAJ-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H10O/c1-3-5(2)4-6-5/h3-4H2,1-2H3/t5-/m0/s1.
What are the key properties of (2S)-2-ethyl-2-methyloxirane?
(2S)-2-ethyl-2-methyloxirane has a molecular weight of 86.13 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-2-methyloxirane is sourced from PubChem (CID 7832547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).