(1R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxy-4-methylpentan-2-one

C19H38O5Si — CID 174152009

About (1R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxy-4-methylpentan-2-one

(1R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxy-4-methylpentan-2-one (PubChem CID 174152009) has the molecular formula C19H38O5Si and a molecular weight of 374.59 g/mol. Its IUPAC name is (1R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxy-4-methylpentan-2-one.

Molecular Properties

• Compound Name: (1R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxy-4-methylpentan-2-one
• PubChem CID: 174152009
• Molecular Formula: C19H38O5Si
• Molecular Weight: 374.59 g/mol
• Exact Mass: 374.25
• IUPAC Name: (1R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxy-4-methylpentan-2-one
• SMILES: CO[C@@H](C(=O)CC(C)C)[C@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C19H38O5Si/c1-13(2)11-14(20)16(21-8)17-15(23-19(6,7)24-17)12-22-25(9,10)18(3,4)5/h13,15-17H,11-12H2,1-10H3/t15-,16-,17-/m0/s1
• InChIKey: AVDCJYHIXJIPLW-ULQDDVLXSA-N
• XLogP: 4.16
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.59
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxy-4-methylpentan-2-one?

The IUPAC name of (1R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxy-4-methylpentan-2-one (CID 174152009) is (1R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxy-4-methylpentan-2-one.

What is the SMILES notation for (1R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxy-4-methylpentan-2-one?

The canonical SMILES for (1R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxy-4-methylpentan-2-one is CO[C@@H](C(=O)CC(C)C)[C@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C.

What is the InChIKey of (1R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxy-4-methylpentan-2-one?

The InChIKey is AVDCJYHIXJIPLW-ULQDDVLXSA-N. The full InChI is InChI=1S/C19H38O5Si/c1-13(2)11-14(20)16(21-8)17-15(23-19(6,7)24-17)12-22-25(9,10)18(3,4)5/h13,15-17H,11-12H2,1-10H3/t15-,16-,17-/m0/s1.

What are the key properties of (1R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxy-4-methylpentan-2-one?

(1R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxy-4-methylpentan-2-one has a molecular weight of 374.59 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxy-4-methylpentan-2-one is sourced from PubChem (CID 174152009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).