3-[(2S)-6-[tert-butyl(dimethyl)silyl]oxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl]propan-1-ol

C21H36O3Si — CID 46176720

About 3-[(2S)-6-[tert-butyl(dimethyl)silyl]oxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl]propan-1-ol

3-[(2S)-6-[tert-butyl(dimethyl)silyl]oxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl]propan-1-ol (PubChem CID 46176720) has the molecular formula C21H36O3Si and a molecular weight of 364.60 g/mol. Its IUPAC name is 3-[(2S)-6-[tert-butyl(dimethyl)silyl]oxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl]propan-1-ol.

Molecular Properties

• Compound Name: 3-[(2S)-6-[tert-butyl(dimethyl)silyl]oxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl]propan-1-ol
• PubChem CID: 46176720
• Molecular Formula: C21H36O3Si
• Molecular Weight: 364.60 g/mol
• Exact Mass: 364.24
• IUPAC Name: 3-[(2S)-6-[tert-butyl(dimethyl)silyl]oxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl]propan-1-ol
• SMILES: Cc1c(O[Si](C)(C)C(C)(C)C)cc2c(c1C)O[C@](C)(CCCO)CC2
• InChI: InChI=1S/C21H36O3Si/c1-15-16(2)19-17(10-12-21(6,23-19)11-9-13-22)14-18(15)24-25(7,8)20(3,4)5/h14,22H,9-13H2,1-8H3/t21-/m1/s1
• InChIKey: YCSUBILHTBNKFD-OAQYLSRUSA-N
• XLogP: 5.54
• TPSA: 38.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	364.60
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-6-[tert-butyl(dimethyl)silyl]oxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl]propan-1-ol?

The IUPAC name of 3-[(2S)-6-[tert-butyl(dimethyl)silyl]oxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl]propan-1-ol (CID 46176720) is 3-[(2S)-6-[tert-butyl(dimethyl)silyl]oxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl]propan-1-ol.

What is the SMILES notation for 3-[(2S)-6-[tert-butyl(dimethyl)silyl]oxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl]propan-1-ol?

The canonical SMILES for 3-[(2S)-6-[tert-butyl(dimethyl)silyl]oxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl]propan-1-ol is Cc1c(O[Si](C)(C)C(C)(C)C)cc2c(c1C)O[C@](C)(CCCO)CC2.

What is the InChIKey of 3-[(2S)-6-[tert-butyl(dimethyl)silyl]oxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl]propan-1-ol?

The InChIKey is YCSUBILHTBNKFD-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H36O3Si/c1-15-16(2)19-17(10-12-21(6,23-19)11-9-13-22)14-18(15)24-25(7,8)20(3,4)5/h14,22H,9-13H2,1-8H3/t21-/m1/s1.

What are the key properties of 3-[(2S)-6-[tert-butyl(dimethyl)silyl]oxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl]propan-1-ol?

3-[(2S)-6-[tert-butyl(dimethyl)silyl]oxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl]propan-1-ol has a molecular weight of 364.60 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2S)-6-[tert-butyl(dimethyl)silyl]oxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl]propan-1-ol is sourced from PubChem (CID 46176720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).