1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-1,1-difluoro-2-methylpropan-2-ol

C19H30F2O2Si — CID 77360299

About 1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-1,1-difluoro-2-methylpropan-2-ol

1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-1,1-difluoro-2-methylpropan-2-ol (PubChem CID 77360299) has the molecular formula C19H30F2O2Si and a molecular weight of 356.53 g/mol. Its IUPAC name is 1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-1,1-difluoro-2-methylpropan-2-ol.

Molecular Properties

• Compound Name: 1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-1,1-difluoro-2-methylpropan-2-ol
• PubChem CID: 77360299
• Molecular Formula: C19H30F2O2Si
• Molecular Weight: 356.53 g/mol
• Exact Mass: 356.20
• IUPAC Name: 1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-1,1-difluoro-2-methylpropan-2-ol
• SMILES: CC(C)(O)C(F)(F)c1cccc2c1CCC2O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C19H30F2O2Si/c1-17(2,3)24(6,7)23-16-12-11-13-14(16)9-8-10-15(13)19(20,21)18(4,5)22/h8-10,16,22H,11-12H2,1-7H3
• InChIKey: DFOUGJPEEDMRNJ-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	356.53
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-1,1-difluoro-2-methylpropan-2-ol?

The IUPAC name of 1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-1,1-difluoro-2-methylpropan-2-ol (CID 77360299) is 1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-1,1-difluoro-2-methylpropan-2-ol.

What is the SMILES notation for 1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-1,1-difluoro-2-methylpropan-2-ol?

The canonical SMILES for 1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-1,1-difluoro-2-methylpropan-2-ol is CC(C)(O)C(F)(F)c1cccc2c1CCC2O[Si](C)(C)C(C)(C)C.

What is the InChIKey of 1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-1,1-difluoro-2-methylpropan-2-ol?

The InChIKey is DFOUGJPEEDMRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30F2O2Si/c1-17(2,3)24(6,7)23-16-12-11-13-14(16)9-8-10-15(13)19(20,21)18(4,5)22/h8-10,16,22H,11-12H2,1-7H3.

What are the key properties of 1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-1,1-difluoro-2-methylpropan-2-ol?

1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-1,1-difluoro-2-methylpropan-2-ol has a molecular weight of 356.53 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-1,1-difluoro-2-methylpropan-2-ol is sourced from PubChem (CID 77360299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).