(3R)-3-ethyl-2,2-dimethyloxirane

C6H12O — CID 12568504

IUPAC(3R)-3-ethyl-2,2-dimethyloxirane
SMILESCC[C@H]1OC1(C)C
InChIInChI=1S/C6H12O/c1-4-5-6(2,3)7-5/h5H,4H2,1-3H3/t5-/m1/s1
InChIKeyOZVWXRGXOYUQEJ-RXMQYKEDSA-N
MW100.16 g/mol
LogP1.57
Rot. Bonds1

About (3R)-3-ethyl-2,2-dimethyloxirane

(3R)-3-ethyl-2,2-dimethyloxirane (PubChem CID 12568504) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is (3R)-3-ethyl-2,2-dimethyloxirane.

Molecular Properties

Compound Name(3R)-3-ethyl-2,2-dimethyloxirane
PubChem CID12568504
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Name(3R)-3-ethyl-2,2-dimethyloxirane
SMILESCC[C@H]1OC1(C)C
InChIInChI=1S/C6H12O/c1-4-5-6(2,3)7-5/h5H,4H2,1-3H3/t5-/m1/s1
InChIKeyOZVWXRGXOYUQEJ-RXMQYKEDSA-N
XLogP1.57
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.57
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 (3R)-3-ethyl-2,2-dimethyloxirane?
The IUPAC name of (3R)-3-ethyl-2,2-dimethyloxirane (CID 12568504) is (3R)-3-ethyl-2,2-dimethyloxirane.
What is the SMILES notation for (3R)-3-ethyl-2,2-dimethyloxirane?
The canonical SMILES for (3R)-3-ethyl-2,2-dimethyloxirane is CC[C@H]1OC1(C)C.
What is the InChIKey of (3R)-3-ethyl-2,2-dimethyloxirane?
The InChIKey is OZVWXRGXOYUQEJ-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H12O/c1-4-5-6(2,3)7-5/h5H,4H2,1-3H3/t5-/m1/s1.
What are the key properties of (3R)-3-ethyl-2,2-dimethyloxirane?
(3R)-3-ethyl-2,2-dimethyloxirane has a molecular weight of 100.16 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-2,2-dimethyloxirane is sourced from PubChem (CID 12568504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).