(2R)-2-tert-butyl-1,3-oxazolidine-3-carbaldehyde

C8H15NO2 — CID 142149741

IUPAC(2R)-2-tert-butyl-1,3-oxazolidine-3-carbaldehyde
SMILESCC(C)(C)[C@H]1OCCN1C=O
InChIInChI=1S/C8H15NO2/c1-8(2,3)7-9(6-10)4-5-11-7/h6-7H,4-5H2,1-3H3/t7-/m1/s1
InChIKeyRCKXLHKTVAVSEK-SSDOTTSWSA-N
MW157.21 g/mol
LogP0.85
Rot. Bonds1

About (2R)-2-tert-butyl-1,3-oxazolidine-3-carbaldehyde

(2R)-2-tert-butyl-1,3-oxazolidine-3-carbaldehyde (PubChem CID 142149741) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (2R)-2-tert-butyl-1,3-oxazolidine-3-carbaldehyde.

Molecular Properties

Compound Name(2R)-2-tert-butyl-1,3-oxazolidine-3-carbaldehyde
PubChem CID142149741
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(2R)-2-tert-butyl-1,3-oxazolidine-3-carbaldehyde
SMILESCC(C)(C)[C@H]1OCCN1C=O
InChIInChI=1S/C8H15NO2/c1-8(2,3)7-9(6-10)4-5-11-7/h6-7H,4-5H2,1-3H3/t7-/m1/s1
InChIKeyRCKXLHKTVAVSEK-SSDOTTSWSA-N
XLogP0.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-tert-butyl-1,3-oxazolidine-3-carbaldehyde?
The IUPAC name of (2R)-2-tert-butyl-1,3-oxazolidine-3-carbaldehyde (CID 142149741) is (2R)-2-tert-butyl-1,3-oxazolidine-3-carbaldehyde.
What is the SMILES notation for (2R)-2-tert-butyl-1,3-oxazolidine-3-carbaldehyde?
The canonical SMILES for (2R)-2-tert-butyl-1,3-oxazolidine-3-carbaldehyde is CC(C)(C)[C@H]1OCCN1C=O.
What is the InChIKey of (2R)-2-tert-butyl-1,3-oxazolidine-3-carbaldehyde?
The InChIKey is RCKXLHKTVAVSEK-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15NO2/c1-8(2,3)7-9(6-10)4-5-11-7/h6-7H,4-5H2,1-3H3/t7-/m1/s1.
What are the key properties of (2R)-2-tert-butyl-1,3-oxazolidine-3-carbaldehyde?
(2R)-2-tert-butyl-1,3-oxazolidine-3-carbaldehyde has a molecular weight of 157.21 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-tert-butyl-1,3-oxazolidine-3-carbaldehyde is sourced from PubChem (CID 142149741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).