ethane;4-ethyl-2,2-dimethyl-1,3-oxazolidine-3-carbaldehyde;2-methoxy-2-methylpropane;2-methyl-1,3-benzothiazole;propanal

C26H46N2O4S — CID 143728727

About ethane;4-ethyl-2,2-dimethyl-1,3-oxazolidine-3-carbaldehyde;2-methoxy-2-methylpropane;2-methyl-1,3-benzothiazole;propanal

ethane;4-ethyl-2,2-dimethyl-1,3-oxazolidine-3-carbaldehyde;2-methoxy-2-methylpropane;2-methyl-1,3-benzothiazole;propanal (PubChem CID 143728727) has the molecular formula C26H46N2O4S and a molecular weight of 482.73 g/mol. Its IUPAC name is ethane;4-ethyl-2,2-dimethyl-1,3-oxazolidine-3-carbaldehyde;2-methoxy-2-methylpropane;2-methyl-1,3-benzothiazole;propanal.

Molecular Properties

• Compound Name: ethane;4-ethyl-2,2-dimethyl-1,3-oxazolidine-3-carbaldehyde;2-methoxy-2-methylpropane;2-methyl-1,3-benzothiazole;propanal
• PubChem CID: 143728727
• Molecular Formula: C26H46N2O4S
• Molecular Weight: 482.73 g/mol
• Exact Mass: 482.32
• IUPAC Name: ethane;4-ethyl-2,2-dimethyl-1,3-oxazolidine-3-carbaldehyde;2-methoxy-2-methylpropane;2-methyl-1,3-benzothiazole;propanal
• SMILES: CC.CCC1COC(C)(C)N1C=O.CCC=O.COC(C)(C)C.Cc1nc2ccccc2s1
• InChI: InChI=1S/C8H15NO2.C8H7NS.C5H12O.C3H6O.C2H6/c1-4-7-5-11-8(2,3)9(7)6-10;1-6-9-7-4-2-3-5-8(7)10-6;1-5(2,3)6-4;1-2-3-4;1-2/h6-7H,4-5H2,1-3H3;2-5H,1H3;1-4H3;3H,2H2,1H3;1-2H3
• InChIKey: HGGFDRVUJOXSAN-UHFFFAOYSA-N
• XLogP: 6.65
• TPSA: 68.73 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.73
LogP ≤ 5	6.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-2,2-dimethyl-1,3-oxazolidine-3-carbaldehyde;2-methoxy-2-methylpropane;2-methyl-1,3-benzothiazole;propanal?

The IUPAC name of ethane;4-ethyl-2,2-dimethyl-1,3-oxazolidine-3-carbaldehyde;2-methoxy-2-methylpropane;2-methyl-1,3-benzothiazole;propanal (CID 143728727) is ethane;4-ethyl-2,2-dimethyl-1,3-oxazolidine-3-carbaldehyde;2-methoxy-2-methylpropane;2-methyl-1,3-benzothiazole;propanal.

What is the SMILES notation for ethane;4-ethyl-2,2-dimethyl-1,3-oxazolidine-3-carbaldehyde;2-methoxy-2-methylpropane;2-methyl-1,3-benzothiazole;propanal?

The canonical SMILES for ethane;4-ethyl-2,2-dimethyl-1,3-oxazolidine-3-carbaldehyde;2-methoxy-2-methylpropane;2-methyl-1,3-benzothiazole;propanal is CC.CCC1COC(C)(C)N1C=O.CCC=O.COC(C)(C)C.Cc1nc2ccccc2s1.

What is the InChIKey of ethane;4-ethyl-2,2-dimethyl-1,3-oxazolidine-3-carbaldehyde;2-methoxy-2-methylpropane;2-methyl-1,3-benzothiazole;propanal?

The InChIKey is HGGFDRVUJOXSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C8H7NS.C5H12O.C3H6O.C2H6/c1-4-7-5-11-8(2,3)9(7)6-10;1-6-9-7-4-2-3-5-8(7)10-6;1-5(2,3)6-4;1-2-3-4;1-2/h6-7H,4-5H2,1-3H3;2-5H,1H3;1-4H3;3H,2H2,1H3;1-2H3.

What are the key properties of ethane;4-ethyl-2,2-dimethyl-1,3-oxazolidine-3-carbaldehyde;2-methoxy-2-methylpropane;2-methyl-1,3-benzothiazole;propanal?

ethane;4-ethyl-2,2-dimethyl-1,3-oxazolidine-3-carbaldehyde;2-methoxy-2-methylpropane;2-methyl-1,3-benzothiazole;propanal has a molecular weight of 482.73 g/mol, XLogP of 6.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;4-ethyl-2,2-dimethyl-1,3-oxazolidine-3-carbaldehyde;2-methoxy-2-methylpropane;2-methyl-1,3-benzothiazole;propanal is sourced from PubChem (CID 143728727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).