[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-(2,3-dimethylbutan-2-yloxy)methanol

C22H38O3Si — CID 175133450

About [1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-(2,3-dimethylbutan-2-yloxy)methanol

[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-(2,3-dimethylbutan-2-yloxy)methanol (PubChem CID 175133450) has the molecular formula C22H38O3Si and a molecular weight of 378.63 g/mol. Its IUPAC name is [1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-(2,3-dimethylbutan-2-yloxy)methanol.

Molecular Properties

• Compound Name: [1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-(2,3-dimethylbutan-2-yloxy)methanol
• PubChem CID: 175133450
• Molecular Formula: C22H38O3Si
• Molecular Weight: 378.63 g/mol
• Exact Mass: 378.26
• IUPAC Name: [1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-(2,3-dimethylbutan-2-yloxy)methanol
• SMILES: CC(C)C(C)(C)OC(O)c1cccc2c1CCC2O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C22H38O3Si/c1-15(2)22(6,7)24-20(23)18-12-10-11-17-16(18)13-14-19(17)25-26(8,9)21(3,4)5/h10-12,15,19-20,23H,13-14H2,1-9H3
• InChIKey: OYXJUVIPVRQKEP-UHFFFAOYSA-N
• XLogP: 6.14
• TPSA: 38.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	378.63
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of [1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-(2,3-dimethylbutan-2-yloxy)methanol (CID 175133450) is [1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-(2,3-dimethylbutan-2-yloxy)methanol.

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

The canonical SMILES for [1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-(2,3-dimethylbutan-2-yloxy)methanol is CC(C)C(C)(C)OC(O)c1cccc2c1CCC2O[Si](C)(C)C(C)(C)C.

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

The InChIKey is OYXJUVIPVRQKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O3Si/c1-15(2)22(6,7)24-20(23)18-12-10-11-17-16(18)13-14-19(17)25-26(8,9)21(3,4)5/h10-12,15,19-20,23H,13-14H2,1-9H3.

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

[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-(2,3-dimethylbutan-2-yloxy)methanol has a molecular weight of 378.63 g/mol, XLogP of 6.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-(2,3-dimethylbutan-2-yloxy)methanol is sourced from PubChem (CID 175133450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).