2-(2,2,3,4-tetramethyl-1,3-oxazolidin-4-yl)acetaldehyde

C9H17NO2 — CID 174478311

IUPAC2-(2,2,3,4-tetramethyl-1,3-oxazolidin-4-yl)acetaldehyde
SMILESCN1C(C)(CC=O)COC1(C)C
InChIInChI=1S/C9H17NO2/c1-8(2)10(4)9(3,5-6-11)7-12-8/h6H,5,7H2,1-4H3
InChIKeyYNMRBFCQQMHZJS-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.03
Rot. Bonds2

About 2-(2,2,3,4-tetramethyl-1,3-oxazolidin-4-yl)acetaldehyde

2-(2,2,3,4-tetramethyl-1,3-oxazolidin-4-yl)acetaldehyde (PubChem CID 174478311) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(2,2,3,4-tetramethyl-1,3-oxazolidin-4-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2,2,3,4-tetramethyl-1,3-oxazolidin-4-yl)acetaldehyde
PubChem CID174478311
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-(2,2,3,4-tetramethyl-1,3-oxazolidin-4-yl)acetaldehyde
SMILESCN1C(C)(CC=O)COC1(C)C
InChIInChI=1S/C9H17NO2/c1-8(2)10(4)9(3,5-6-11)7-12-8/h6H,5,7H2,1-4H3
InChIKeyYNMRBFCQQMHZJS-UHFFFAOYSA-N
XLogP1.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,4-tetramethyl-1,3-oxazolidin-4-yl)acetaldehyde?
The IUPAC name of 2-(2,2,3,4-tetramethyl-1,3-oxazolidin-4-yl)acetaldehyde (CID 174478311) is 2-(2,2,3,4-tetramethyl-1,3-oxazolidin-4-yl)acetaldehyde.
What is the SMILES notation for 2-(2,2,3,4-tetramethyl-1,3-oxazolidin-4-yl)acetaldehyde?
The canonical SMILES for 2-(2,2,3,4-tetramethyl-1,3-oxazolidin-4-yl)acetaldehyde is CN1C(C)(CC=O)COC1(C)C.
What is the InChIKey of 2-(2,2,3,4-tetramethyl-1,3-oxazolidin-4-yl)acetaldehyde?
The InChIKey is YNMRBFCQQMHZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(2)10(4)9(3,5-6-11)7-12-8/h6H,5,7H2,1-4H3.
What are the key properties of 2-(2,2,3,4-tetramethyl-1,3-oxazolidin-4-yl)acetaldehyde?
2-(2,2,3,4-tetramethyl-1,3-oxazolidin-4-yl)acetaldehyde has a molecular weight of 171.24 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,4-tetramethyl-1,3-oxazolidin-4-yl)acetaldehyde is sourced from PubChem (CID 174478311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).