tert-butyl-[[(2S)-2-(4,4-difluorobut-3-enyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl]oxy]-dimethylsilane

C23H36F2O2Si — CID 156720870

About tert-butyl-[[(2S)-2-(4,4-difluorobut-3-enyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl]oxy]-dimethylsilane

tert-butyl-[[(2S)-2-(4,4-difluorobut-3-enyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl]oxy]-dimethylsilane (PubChem CID 156720870) has the molecular formula C23H36F2O2Si and a molecular weight of 410.62 g/mol. Its IUPAC name is tert-butyl-[[(2S)-2-(4,4-difluorobut-3-enyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl]oxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[[(2S)-2-(4,4-difluorobut-3-enyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl]oxy]-dimethylsilane
• PubChem CID: 156720870
• Molecular Formula: C23H36F2O2Si
• Molecular Weight: 410.62 g/mol
• Exact Mass: 410.25
• IUPAC Name: tert-butyl-[[(2S)-2-(4,4-difluorobut-3-enyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl]oxy]-dimethylsilane
• SMILES: Cc1c(C)c2c(c(C)c1O[Si](C)(C)C(C)(C)C)CC[C@](C)(CCC=C(F)F)O2
• InChI: InChI=1S/C23H36F2O2Si/c1-15-16(2)21-18(12-14-23(7,26-21)13-10-11-19(24)25)17(3)20(15)27-28(8,9)22(4,5)6/h11H,10,12-14H2,1-9H3/t23-/m0/s1
• InChIKey: HSUAYMJLYVJDRI-QHCPKHFHSA-N
• XLogP: 7.64
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.62
LogP ≤ 5	7.64
H-Bond Donors ≤ 5	0
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 tert-butyl-[[(2S)-2-(4,4-difluorobut-3-enyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl]oxy]-dimethylsilane?

The IUPAC name of tert-butyl-[[(2S)-2-(4,4-difluorobut-3-enyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl]oxy]-dimethylsilane (CID 156720870) is tert-butyl-[[(2S)-2-(4,4-difluorobut-3-enyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl]oxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[[(2S)-2-(4,4-difluorobut-3-enyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl]oxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[[(2S)-2-(4,4-difluorobut-3-enyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl]oxy]-dimethylsilane is Cc1c(C)c2c(c(C)c1O[Si](C)(C)C(C)(C)C)CC[C@](C)(CCC=C(F)F)O2.

What is the InChIKey of tert-butyl-[[(2S)-2-(4,4-difluorobut-3-enyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl]oxy]-dimethylsilane?

The InChIKey is HSUAYMJLYVJDRI-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H36F2O2Si/c1-15-16(2)21-18(12-14-23(7,26-21)13-10-11-19(24)25)17(3)20(15)27-28(8,9)22(4,5)6/h11H,10,12-14H2,1-9H3/t23-/m0/s1.

What are the key properties of tert-butyl-[[(2S)-2-(4,4-difluorobut-3-enyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl]oxy]-dimethylsilane?

tert-butyl-[[(2S)-2-(4,4-difluorobut-3-enyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl]oxy]-dimethylsilane has a molecular weight of 410.62 g/mol, XLogP of 7.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[(2S)-2-(4,4-difluorobut-3-enyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl]oxy]-dimethylsilane is sourced from PubChem (CID 156720870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).