2-[(2S)-oxetan-2-yl]acetaldehyde

C5H8O2 — CID 124631667

IUPAC2-[(2S)-oxetan-2-yl]acetaldehyde
SMILESO=CC[C@@H]1CCO1
InChIInChI=1S/C5H8O2/c6-3-1-5-2-4-7-5/h3,5H,1-2,4H2/t5-/m1/s1
InChIKeyVRKBXGVCHFUJEU-RXMQYKEDSA-N
MW100.12 g/mol
LogP0.36
Rot. Bonds2

About 2-[(2S)-oxetan-2-yl]acetaldehyde

2-[(2S)-oxetan-2-yl]acetaldehyde (PubChem CID 124631667) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is 2-[(2S)-oxetan-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(2S)-oxetan-2-yl]acetaldehyde
PubChem CID124631667
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name2-[(2S)-oxetan-2-yl]acetaldehyde
SMILESO=CC[C@@H]1CCO1
InChIInChI=1S/C5H8O2/c6-3-1-5-2-4-7-5/h3,5H,1-2,4H2/t5-/m1/s1
InChIKeyVRKBXGVCHFUJEU-RXMQYKEDSA-N
XLogP0.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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'}

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Related Compounds

2-(oxetan-2-yl)acetaldehyde
CID 53346577
2-(1,4-oxathian-2-yl)acetaldehyde
CID 10396960
(Z)-5-(oxolan-2-yl)pent-3-enal
CID 117267682
2-(4-prop-2-enylmorpholin-2-yl)acetaldehyde
CID 173469900
2-(oxan-4-yl)acetaldehyde;propane
CID 145213291
2-cyclohexylacetaldehyde;rubidium(1+)
CID 59915756
1-(oxetan-2-yl)propan-2-amine
CID 84647721
N-(oxetan-2-ylmethyl)ethanamine
CID 89405664
5-(oxepan-2-yl)pentanal
CID 57144478
2-methyl-3-(4-methyloxan-2-yl)propanal
CID 130025863
N-ethyl-2-(oxetan-2-yl)acetamide
CID 146215054
2-[3-[3-(oxolan-2-yl)prop-1-enoxy]prop-2-enyl]oxolane
CID 57155839

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-oxetan-2-yl]acetaldehyde?
The IUPAC name of 2-[(2S)-oxetan-2-yl]acetaldehyde (CID 124631667) is 2-[(2S)-oxetan-2-yl]acetaldehyde.
What is the SMILES notation for 2-[(2S)-oxetan-2-yl]acetaldehyde?
The canonical SMILES for 2-[(2S)-oxetan-2-yl]acetaldehyde is O=CC[C@@H]1CCO1.
What is the InChIKey of 2-[(2S)-oxetan-2-yl]acetaldehyde?
The InChIKey is VRKBXGVCHFUJEU-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H8O2/c6-3-1-5-2-4-7-5/h3,5H,1-2,4H2/t5-/m1/s1.
What are the key properties of 2-[(2S)-oxetan-2-yl]acetaldehyde?
2-[(2S)-oxetan-2-yl]acetaldehyde has a molecular weight of 100.12 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-oxetan-2-yl]acetaldehyde is sourced from PubChem (CID 124631667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).