tert-butyl-[(E,3S)-2-[(6S)-2-hydroxy-5,6-dihydrooxaborinin-6-yl]-2-methylhex-4-en-3-yl]oxy-dimethylsilane

C17H33BO3Si — CID 134938742

IUPACtert-butyl-[(E,3S)-2-[(6S)-2-hydroxy-5,6-dihydrooxaborinin-6-yl]-2-methylhex-4-en-3-yl]oxy-dimethylsilane
SMILESC/C=C/[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@@H]1CC=CB(O)O1
InChIInChI=1S/C17H33BO3Si/c1-9-11-15(21-22(7,8)16(2,3)4)17(5,6)14-12-10-13-18(19)20-14/h9-11,13-15,19H,12H2,1-8H3/b11-9+/t14-,15-/m0/s1
InChIKeyCZFYNMADTCZWNF-WWUQSUGHSA-N
MW324.35 g/mol
LogP4.34
Rot. Bonds5

About tert-butyl-[(E,3S)-2-[(6S)-2-hydroxy-5,6-dihydrooxaborinin-6-yl]-2-methylhex-4-en-3-yl]oxy-dimethylsilane

tert-butyl-[(E,3S)-2-[(6S)-2-hydroxy-5,6-dihydrooxaborinin-6-yl]-2-methylhex-4-en-3-yl]oxy-dimethylsilane (PubChem CID 134938742) has the molecular formula C17H33BO3Si and a molecular weight of 324.35 g/mol. Its IUPAC name is tert-butyl-[(E,3S)-2-[(6S)-2-hydroxy-5,6-dihydrooxaborinin-6-yl]-2-methylhex-4-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,3S)-2-[(6S)-2-hydroxy-5,6-dihydrooxaborinin-6-yl]-2-methylhex-4-en-3-yl]oxy-dimethylsilane
PubChem CID134938742
Molecular FormulaC17H33BO3Si
Molecular Weight324.35 g/mol
Exact Mass324.23
IUPAC Nametert-butyl-[(E,3S)-2-[(6S)-2-hydroxy-5,6-dihydrooxaborinin-6-yl]-2-methylhex-4-en-3-yl]oxy-dimethylsilane
SMILESC/C=C/[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@@H]1CC=CB(O)O1
InChIInChI=1S/C17H33BO3Si/c1-9-11-15(21-22(7,8)16(2,3)4)17(5,6)14-12-10-13-18(19)20-14/h9-11,13-15,19H,12H2,1-8H3/b11-9+/t14-,15-/m0/s1
InChIKeyCZFYNMADTCZWNF-WWUQSUGHSA-N
XLogP4.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-[(E,3S)-2-[(6S)-2-hydroxy-5,6-dihydrooxaborinin-6-yl]-2-methylhex-4-en-3-yl]oxy-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,3S)-2-[(6S)-2-hydroxy-5,6-dihydrooxaborinin-6-yl]-2-methylhex-4-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E,3S)-2-[(6S)-2-hydroxy-5,6-dihydrooxaborinin-6-yl]-2-methylhex-4-en-3-yl]oxy-dimethylsilane (CID 134938742) is tert-butyl-[(E,3S)-2-[(6S)-2-hydroxy-5,6-dihydrooxaborinin-6-yl]-2-methylhex-4-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,3S)-2-[(6S)-2-hydroxy-5,6-dihydrooxaborinin-6-yl]-2-methylhex-4-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,3S)-2-[(6S)-2-hydroxy-5,6-dihydrooxaborinin-6-yl]-2-methylhex-4-en-3-yl]oxy-dimethylsilane is C/C=C/[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@@H]1CC=CB(O)O1.
What is the InChIKey of tert-butyl-[(E,3S)-2-[(6S)-2-hydroxy-5,6-dihydrooxaborinin-6-yl]-2-methylhex-4-en-3-yl]oxy-dimethylsilane?
The InChIKey is CZFYNMADTCZWNF-WWUQSUGHSA-N. The full InChI is InChI=1S/C17H33BO3Si/c1-9-11-15(21-22(7,8)16(2,3)4)17(5,6)14-12-10-13-18(19)20-14/h9-11,13-15,19H,12H2,1-8H3/b11-9+/t14-,15-/m0/s1.
What are the key properties of tert-butyl-[(E,3S)-2-[(6S)-2-hydroxy-5,6-dihydrooxaborinin-6-yl]-2-methylhex-4-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(E,3S)-2-[(6S)-2-hydroxy-5,6-dihydrooxaborinin-6-yl]-2-methylhex-4-en-3-yl]oxy-dimethylsilane has a molecular weight of 324.35 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,3S)-2-[(6S)-2-hydroxy-5,6-dihydrooxaborinin-6-yl]-2-methylhex-4-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 134938742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).