2-[(2S,5S)-5-methoxyoxolan-2-yl]acetaldehyde

C7H12O3 — CID 131002253

IUPAC2-[(2S,5S)-5-methoxyoxolan-2-yl]acetaldehyde
SMILESCO[C@@H]1CC[C@@H](CC=O)O1
InChIInChI=1S/C7H12O3/c1-9-7-3-2-6(10-7)4-5-8/h5-7H,2-4H2,1H3/t6-,7-/m0/s1
InChIKeyVJIOKSHTMOINJD-BQBZGAKWSA-N
MW144.17 g/mol
LogP0.73
Rot. Bonds3

About 2-[(2S,5S)-5-methoxyoxolan-2-yl]acetaldehyde

2-[(2S,5S)-5-methoxyoxolan-2-yl]acetaldehyde (PubChem CID 131002253) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-[(2S,5S)-5-methoxyoxolan-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(2S,5S)-5-methoxyoxolan-2-yl]acetaldehyde
PubChem CID131002253
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name2-[(2S,5S)-5-methoxyoxolan-2-yl]acetaldehyde
SMILESCO[C@@H]1CC[C@@H](CC=O)O1
InChIInChI=1S/C7H12O3/c1-9-7-3-2-6(10-7)4-5-8/h5-7H,2-4H2,1H3/t6-,7-/m0/s1
InChIKeyVJIOKSHTMOINJD-BQBZGAKWSA-N
XLogP0.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[(2R)-3,5-dimethoxyoxolan-2-yl]acetaldehyde
CID 53818774
5-Ethyl-2-methoxyoxolane-3-carbaldehyde
CID 54166474
(2R,5R)-5-ethyl-2-methoxyoxolan-3-one
CID 122450181
2-[(3R,5R)-3,5-dimethoxyoxolan-2-yl]acetaldehyde
CID 141806465
1-(5-Methoxyoxolan-2-yl)propan-2-one
CID 13927490
2-(5-Methoxyoxolan-2-yl)acetaldehyde
CID 15635087
Methyl 2-(5-methoxyoxolan-2-yl)acetate
CID 101108159

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5S)-5-methoxyoxolan-2-yl]acetaldehyde?
The IUPAC name of 2-[(2S,5S)-5-methoxyoxolan-2-yl]acetaldehyde (CID 131002253) is 2-[(2S,5S)-5-methoxyoxolan-2-yl]acetaldehyde.
What is the SMILES notation for 2-[(2S,5S)-5-methoxyoxolan-2-yl]acetaldehyde?
The canonical SMILES for 2-[(2S,5S)-5-methoxyoxolan-2-yl]acetaldehyde is CO[C@@H]1CC[C@@H](CC=O)O1.
What is the InChIKey of 2-[(2S,5S)-5-methoxyoxolan-2-yl]acetaldehyde?
The InChIKey is VJIOKSHTMOINJD-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H12O3/c1-9-7-3-2-6(10-7)4-5-8/h5-7H,2-4H2,1H3/t6-,7-/m0/s1.
What are the key properties of 2-[(2S,5S)-5-methoxyoxolan-2-yl]acetaldehyde?
2-[(2S,5S)-5-methoxyoxolan-2-yl]acetaldehyde has a molecular weight of 144.17 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5S)-5-methoxyoxolan-2-yl]acetaldehyde is sourced from PubChem (CID 131002253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).