(2R)-2-methoxy-2-[(3S)-oxolan-3-yl]acetaldehyde

C7H12O3 — CID 125041775

IUPAC(2R)-2-methoxy-2-[(3S)-oxolan-3-yl]acetaldehyde
SMILESCO[C@@H](C=O)[C@H]1CCOC1
InChIInChI=1S/C7H12O3/c1-9-7(4-8)6-2-3-10-5-6/h4,6-7H,2-3,5H2,1H3/t6-,7-/m0/s1
InChIKeyNRQVWRXPGPHCJH-BQBZGAKWSA-N
MW144.17 g/mol
LogP0.24
Rot. Bonds3

About (2R)-2-methoxy-2-[(3S)-oxolan-3-yl]acetaldehyde

(2R)-2-methoxy-2-[(3S)-oxolan-3-yl]acetaldehyde (PubChem CID 125041775) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (2R)-2-methoxy-2-[(3S)-oxolan-3-yl]acetaldehyde.

Molecular Properties

Compound Name(2R)-2-methoxy-2-[(3S)-oxolan-3-yl]acetaldehyde
PubChem CID125041775
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(2R)-2-methoxy-2-[(3S)-oxolan-3-yl]acetaldehyde
SMILESCO[C@@H](C=O)[C@H]1CCOC1
InChIInChI=1S/C7H12O3/c1-9-7(4-8)6-2-3-10-5-6/h4,6-7H,2-3,5H2,1H3/t6-,7-/m0/s1
InChIKeyNRQVWRXPGPHCJH-BQBZGAKWSA-N
XLogP0.24
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 ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-2-methoxy-2-[(3S)-oxolan-3-yl]acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-methoxy-2-(oxan-4-yl)acetaldehyde
CID 124709657
(3S)-3-[(1R)-1-methoxyethyl]oxolane
CID 178131318
3-(1-methoxy-2-methylpropyl)oxolane
CID 164918486
2-methoxy-2-(oxolan-3-yl)ethanesulfonyl fluoride
CID 165459370
2-(1,1-dioxothiolan-3-yl)-2-methoxyacetaldehyde
CID 115019035
2-methoxy-N-[1-(oxolan-3-yl)ethyl]propanamide
CID 115648955
[2-methoxy-1-(oxolan-3-yl)propyl]hydrazine
CID 105246847
methyl (2S)-2-chloro-2-[(3S)-oxolan-3-yl]acetate
CID 94376600
3-methoxy-3-(oxolan-3-yl)propan-1-amine
CID 115012480
2-methoxy-1-(oxolan-3-yl)-2-phenylethanol
CID 116756910
2-(2-methoxyethylamino)-1-(oxolan-3-yl)ethanol
CID 62773174
3-(3-methylbutan-2-yl)oxolane
CID 123661278

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methoxy-2-[(3S)-oxolan-3-yl]acetaldehyde?
The IUPAC name of (2R)-2-methoxy-2-[(3S)-oxolan-3-yl]acetaldehyde (CID 125041775) is (2R)-2-methoxy-2-[(3S)-oxolan-3-yl]acetaldehyde.
What is the SMILES notation for (2R)-2-methoxy-2-[(3S)-oxolan-3-yl]acetaldehyde?
The canonical SMILES for (2R)-2-methoxy-2-[(3S)-oxolan-3-yl]acetaldehyde is CO[C@@H](C=O)[C@H]1CCOC1.
What is the InChIKey of (2R)-2-methoxy-2-[(3S)-oxolan-3-yl]acetaldehyde?
The InChIKey is NRQVWRXPGPHCJH-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H12O3/c1-9-7(4-8)6-2-3-10-5-6/h4,6-7H,2-3,5H2,1H3/t6-,7-/m0/s1.
What are the key properties of (2R)-2-methoxy-2-[(3S)-oxolan-3-yl]acetaldehyde?
(2R)-2-methoxy-2-[(3S)-oxolan-3-yl]acetaldehyde has a molecular weight of 144.17 g/mol, XLogP of 0.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methoxy-2-[(3S)-oxolan-3-yl]acetaldehyde is sourced from PubChem (CID 125041775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).