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

C5H8O2 — CID 12872198

IUPAC(2R)-3,3-dimethyloxirane-2-carbaldehyde
SMILESCC1(C)O[C@H]1C=O
InChIInChI=1S/C5H8O2/c1-5(2)4(3-6)7-5/h3-4H,1-2H3/t4-/m0/s1
InChIKeyGLZFKAYNZITDIA-BYPYZUCNSA-N
MW100.12 g/mol
LogP0.36
Rot. Bonds1

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

(2R)-3,3-dimethyloxirane-2-carbaldehyde (PubChem CID 12872198) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is (2R)-3,3-dimethyloxirane-2-carbaldehyde.

Molecular Properties

Compound Name(2R)-3,3-dimethyloxirane-2-carbaldehyde
PubChem CID12872198
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name(2R)-3,3-dimethyloxirane-2-carbaldehyde
SMILESCC1(C)O[C@H]1C=O
InChIInChI=1S/C5H8O2/c1-5(2)4(3-6)7-5/h3-4H,1-2H3/t4-/m0/s1
InChIKeyGLZFKAYNZITDIA-BYPYZUCNSA-N
XLogP0.36
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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)-3,3-dimethyloxirane-2-carbaldehyde?
The IUPAC name of (2R)-3,3-dimethyloxirane-2-carbaldehyde (CID 12872198) is (2R)-3,3-dimethyloxirane-2-carbaldehyde.
What is the SMILES notation for (2R)-3,3-dimethyloxirane-2-carbaldehyde?
The canonical SMILES for (2R)-3,3-dimethyloxirane-2-carbaldehyde is CC1(C)O[C@H]1C=O.
What is the InChIKey of (2R)-3,3-dimethyloxirane-2-carbaldehyde?
The InChIKey is GLZFKAYNZITDIA-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H8O2/c1-5(2)4(3-6)7-5/h3-4H,1-2H3/t4-/m0/s1.
What are the key properties of (2R)-3,3-dimethyloxirane-2-carbaldehyde?
(2R)-3,3-dimethyloxirane-2-carbaldehyde has a molecular weight of 100.12 g/mol, XLogP of 0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3-dimethyloxirane-2-carbaldehyde is sourced from PubChem (CID 12872198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).