2-[(4R)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]acetaldehyde

C8H15NO2 — CID 59040528

IUPAC2-[(4R)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]acetaldehyde
SMILESCN1[C@H](CC=O)COC1(C)C
InChIInChI=1S/C8H15NO2/c1-8(2)9(3)7(4-5-10)6-11-8/h5,7H,4,6H2,1-3H3/t7-/m1/s1
InChIKeyHYZNMKXXPYJMLW-SSDOTTSWSA-N
MW157.21 g/mol
LogP0.64
Rot. Bonds2

About 2-[(4R)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]acetaldehyde

2-[(4R)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]acetaldehyde (PubChem CID 59040528) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-[(4R)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(4R)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]acetaldehyde
PubChem CID59040528
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-[(4R)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]acetaldehyde
SMILESCN1[C@H](CC=O)COC1(C)C
InChIInChI=1S/C8H15NO2/c1-8(2)9(3)7(4-5-10)6-11-8/h5,7H,4,6H2,1-3H3/t7-/m1/s1
InChIKeyHYZNMKXXPYJMLW-SSDOTTSWSA-N
XLogP0.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.64
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

2,2-Dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid
CID 22352307
2-(2,2,3-Trimethyl-1,3-oxazolidin-4-yl)acetaldehyde
CID 22971630
2-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]acetaldehyde
CID 59883041
(4S)-2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid
CID 87194812
ethyl (4S)-2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate
CID 141073522
2-(2,2,3-Trimethyl-1,3-oxazolidin-4-yl)acetyl iodide
CID 163466682
2-(2,2,3,4-Tetramethyl-1,3-oxazolidin-4-yl)acetaldehyde
CID 174478311
3-[Methyl(oxolan-3-yl)amino]propanal
CID 82742554

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]acetaldehyde?
The IUPAC name of 2-[(4R)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]acetaldehyde (CID 59040528) is 2-[(4R)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]acetaldehyde.
What is the SMILES notation for 2-[(4R)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]acetaldehyde?
The canonical SMILES for 2-[(4R)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]acetaldehyde is CN1[C@H](CC=O)COC1(C)C.
What is the InChIKey of 2-[(4R)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]acetaldehyde?
The InChIKey is HYZNMKXXPYJMLW-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15NO2/c1-8(2)9(3)7(4-5-10)6-11-8/h5,7H,4,6H2,1-3H3/t7-/m1/s1.
What are the key properties of 2-[(4R)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]acetaldehyde?
2-[(4R)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]acetaldehyde has a molecular weight of 157.21 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]acetaldehyde is sourced from PubChem (CID 59040528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).