[(2R,3S,4S)-2,4-dimethyl-5-oxo-3-tri(propan-2-yl)silyloxypentyl] 2,2-dimethylpropanoate

C21H42O4Si — CID 10738933

About [(2R,3S,4S)-2,4-dimethyl-5-oxo-3-tri(propan-2-yl)silyloxypentyl] 2,2-dimethylpropanoate

[(2R,3S,4S)-2,4-dimethyl-5-oxo-3-tri(propan-2-yl)silyloxypentyl] 2,2-dimethylpropanoate (PubChem CID 10738933) has the molecular formula C21H42O4Si and a molecular weight of 386.65 g/mol. Its IUPAC name is [(2R,3S,4S)-2,4-dimethyl-5-oxo-3-tri(propan-2-yl)silyloxypentyl] 2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: [(2R,3S,4S)-2,4-dimethyl-5-oxo-3-tri(propan-2-yl)silyloxypentyl] 2,2-dimethylpropanoate
• PubChem CID: 10738933
• Molecular Formula: C21H42O4Si
• Molecular Weight: 386.65 g/mol
• Exact Mass: 386.29
• IUPAC Name: [(2R,3S,4S)-2,4-dimethyl-5-oxo-3-tri(propan-2-yl)silyloxypentyl] 2,2-dimethylpropanoate
• SMILES: CC(C=O)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)COC(=O)C(C)(C)C
• InChI: InChI=1S/C21H42O4Si/c1-14(2)26(15(3)4,16(5)6)25-19(17(7)12-22)18(8)13-24-20(23)21(9,10)11/h12,14-19H,13H2,1-11H3/t17?,18-,19-/m1/s1
• InChIKey: HMKCLITVQQDROJ-OMKBGSMGSA-N
• XLogP: 5.61
• TPSA: 52.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.65
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S)-2,4-dimethyl-5-oxo-3-tri(propan-2-yl)silyloxypentyl] 2,2-dimethylpropanoate?

The IUPAC name of [(2R,3S,4S)-2,4-dimethyl-5-oxo-3-tri(propan-2-yl)silyloxypentyl] 2,2-dimethylpropanoate (CID 10738933) is [(2R,3S,4S)-2,4-dimethyl-5-oxo-3-tri(propan-2-yl)silyloxypentyl] 2,2-dimethylpropanoate.

What is the SMILES notation for [(2R,3S,4S)-2,4-dimethyl-5-oxo-3-tri(propan-2-yl)silyloxypentyl] 2,2-dimethylpropanoate?

The canonical SMILES for [(2R,3S,4S)-2,4-dimethyl-5-oxo-3-tri(propan-2-yl)silyloxypentyl] 2,2-dimethylpropanoate is CC(C=O)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)COC(=O)C(C)(C)C.

What is the InChIKey of [(2R,3S,4S)-2,4-dimethyl-5-oxo-3-tri(propan-2-yl)silyloxypentyl] 2,2-dimethylpropanoate?

The InChIKey is HMKCLITVQQDROJ-OMKBGSMGSA-N. The full InChI is InChI=1S/C21H42O4Si/c1-14(2)26(15(3)4,16(5)6)25-19(17(7)12-22)18(8)13-24-20(23)21(9,10)11/h12,14-19H,13H2,1-11H3/t17?,18-,19-/m1/s1.

What are the key properties of [(2R,3S,4S)-2,4-dimethyl-5-oxo-3-tri(propan-2-yl)silyloxypentyl] 2,2-dimethylpropanoate?

[(2R,3S,4S)-2,4-dimethyl-5-oxo-3-tri(propan-2-yl)silyloxypentyl] 2,2-dimethylpropanoate has a molecular weight of 386.65 g/mol, XLogP of 5.61, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,4S)-2,4-dimethyl-5-oxo-3-tri(propan-2-yl)silyloxypentyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 10738933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).