tert-butyl-[(E)-3-[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]prop-2-enoxy]-dimethylsilane

C23H43BO3Si — CID 10597475

About tert-butyl-[(E)-3-[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]prop-2-enoxy]-dimethylsilane

tert-butyl-[(E)-3-[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]prop-2-enoxy]-dimethylsilane (PubChem CID 10597475) has the molecular formula C23H43BO3Si and a molecular weight of 406.49 g/mol. Its IUPAC name is tert-butyl-[(E)-3-[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]prop-2-enoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(E)-3-[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]prop-2-enoxy]-dimethylsilane
• PubChem CID: 10597475
• Molecular Formula: C23H43BO3Si
• Molecular Weight: 406.49 g/mol
• Exact Mass: 406.31
• IUPAC Name: tert-butyl-[(E)-3-[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]prop-2-enoxy]-dimethylsilane
• SMILES: CC(C)(C)[Si](C)(C)OC/C=C/B1O[C@@H](C2CCCCC2)[C@H](C2CCCCC2)O1
• InChI: InChI=1S/C23H43BO3Si/c1-23(2,3)28(4,5)25-18-12-17-24-26-21(19-13-8-6-9-14-19)22(27-24)20-15-10-7-11-16-20/h12,17,19-22H,6-11,13-16,18H2,1-5H3/b17-12+/t21-,22-/m0/s1
• InChIKey: QDAMBDAKJCAHAU-XIEWFSOVSA-N
• XLogP: 6.54
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.49
LogP ≤ 5	6.54
H-Bond Donors ≤ 5	0
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 tert-butyl-[(E)-3-[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]prop-2-enoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[(E)-3-[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]prop-2-enoxy]-dimethylsilane (CID 10597475) is tert-butyl-[(E)-3-[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]prop-2-enoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[(E)-3-[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]prop-2-enoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[(E)-3-[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]prop-2-enoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC/C=C/B1O[C@@H](C2CCCCC2)[C@H](C2CCCCC2)O1.

What is the InChIKey of tert-butyl-[(E)-3-[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]prop-2-enoxy]-dimethylsilane?

The InChIKey is QDAMBDAKJCAHAU-XIEWFSOVSA-N. The full InChI is InChI=1S/C23H43BO3Si/c1-23(2,3)28(4,5)25-18-12-17-24-26-21(19-13-8-6-9-14-19)22(27-24)20-15-10-7-11-16-20/h12,17,19-22H,6-11,13-16,18H2,1-5H3/b17-12+/t21-,22-/m0/s1.

What are the key properties of tert-butyl-[(E)-3-[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]prop-2-enoxy]-dimethylsilane?

tert-butyl-[(E)-3-[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]prop-2-enoxy]-dimethylsilane has a molecular weight of 406.49 g/mol, XLogP of 6.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(E)-3-[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]prop-2-enoxy]-dimethylsilane is sourced from PubChem (CID 10597475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).