2-benzyl-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,6-dihydrooxazin-4-ol

C23H37NO5Si — CID 134833764

About 2-benzyl-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,6-dihydrooxazin-4-ol

2-benzyl-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,6-dihydrooxazin-4-ol (PubChem CID 134833764) has the molecular formula C23H37NO5Si and a molecular weight of 435.64 g/mol. Its IUPAC name is 2-benzyl-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,6-dihydrooxazin-4-ol.

Molecular Properties

• Compound Name: 2-benzyl-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,6-dihydrooxazin-4-ol
• PubChem CID: 134833764
• Molecular Formula: C23H37NO5Si
• Molecular Weight: 435.64 g/mol
• Exact Mass: 435.24
• IUPAC Name: 2-benzyl-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,6-dihydrooxazin-4-ol
• SMILES: CC1(C)OC[C@@H]([C@@H](O[Si](C)(C)C(C)(C)C)C2C(O)=CCON2Cc2ccccc2)O1
• InChI: InChI=1S/C23H37NO5Si/c1-22(2,3)30(6,7)29-21(19-16-26-23(4,5)28-19)20-18(25)13-14-27-24(20)15-17-11-9-8-10-12-17/h8-13,19-21,25H,14-16H2,1-7H3/t19-,20?,21+/m0/s1
• InChIKey: HYYFAKHJYIVSRM-SIGULFFNSA-N
• XLogP: 4.79
• TPSA: 60.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.64
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,6-dihydrooxazin-4-ol?

The IUPAC name of 2-benzyl-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,6-dihydrooxazin-4-ol (CID 134833764) is 2-benzyl-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,6-dihydrooxazin-4-ol.

What is the SMILES notation for 2-benzyl-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,6-dihydrooxazin-4-ol?

The canonical SMILES for 2-benzyl-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,6-dihydrooxazin-4-ol is CC1(C)OC[C@@H]([C@@H](O[Si](C)(C)C(C)(C)C)C2C(O)=CCON2Cc2ccccc2)O1.

What is the InChIKey of 2-benzyl-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,6-dihydrooxazin-4-ol?

The InChIKey is HYYFAKHJYIVSRM-SIGULFFNSA-N. The full InChI is InChI=1S/C23H37NO5Si/c1-22(2,3)30(6,7)29-21(19-16-26-23(4,5)28-19)20-18(25)13-14-27-24(20)15-17-11-9-8-10-12-17/h8-13,19-21,25H,14-16H2,1-7H3/t19-,20?,21+/m0/s1.

What are the key properties of 2-benzyl-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,6-dihydrooxazin-4-ol?

2-benzyl-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,6-dihydrooxazin-4-ol has a molecular weight of 435.64 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-benzyl-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,6-dihydrooxazin-4-ol is sourced from PubChem (CID 134833764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).