tert-butyl-[(2R,3R)-5,5-dibromo-3-methylpent-4-en-2-yl]oxy-dimethylsilane

C12H24Br2OSi — CID 58750402

IUPACtert-butyl-[(2R,3R)-5,5-dibromo-3-methylpent-4-en-2-yl]oxy-dimethylsilane
SMILESC[C@H](C=C(Br)Br)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24Br2OSi/c1-9(8-11(13)14)10(2)15-16(6,7)12(3,4)5/h8-10H,1-7H3/t9-,10-/m1/s1
InChIKeyDPFCAMAVEHHDMW-NXEZZACHSA-N
MW372.22 g/mol
LogP5.66
Rot. Bonds4

About tert-butyl-[(2R,3R)-5,5-dibromo-3-methylpent-4-en-2-yl]oxy-dimethylsilane

tert-butyl-[(2R,3R)-5,5-dibromo-3-methylpent-4-en-2-yl]oxy-dimethylsilane (PubChem CID 58750402) has the molecular formula C12H24Br2OSi and a molecular weight of 372.22 g/mol. Its IUPAC name is tert-butyl-[(2R,3R)-5,5-dibromo-3-methylpent-4-en-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3R)-5,5-dibromo-3-methylpent-4-en-2-yl]oxy-dimethylsilane
PubChem CID58750402
Molecular FormulaC12H24Br2OSi
Molecular Weight372.22 g/mol
Exact Mass370.00
IUPAC Nametert-butyl-[(2R,3R)-5,5-dibromo-3-methylpent-4-en-2-yl]oxy-dimethylsilane
SMILESC[C@H](C=C(Br)Br)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24Br2OSi/c1-9(8-11(13)14)10(2)15-16(6,7)12(3,4)5/h8-10H,1-7H3/t9-,10-/m1/s1
InChIKeyDPFCAMAVEHHDMW-NXEZZACHSA-N
XLogP5.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.22
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-[(2R,3R)-5,5-dibromo-3-methylpent-4-en-2-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-[(2R,3R)-5,5-dibromo-3-methylpent-4-en-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3R)-5,5-dibromo-3-methylpent-4-en-2-yl]oxy-dimethylsilane (CID 58750402) is tert-butyl-[(2R,3R)-5,5-dibromo-3-methylpent-4-en-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3R)-5,5-dibromo-3-methylpent-4-en-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3R)-5,5-dibromo-3-methylpent-4-en-2-yl]oxy-dimethylsilane is C[C@H](C=C(Br)Br)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,3R)-5,5-dibromo-3-methylpent-4-en-2-yl]oxy-dimethylsilane?
The InChIKey is DPFCAMAVEHHDMW-NXEZZACHSA-N. The full InChI is InChI=1S/C12H24Br2OSi/c1-9(8-11(13)14)10(2)15-16(6,7)12(3,4)5/h8-10H,1-7H3/t9-,10-/m1/s1.
What are the key properties of tert-butyl-[(2R,3R)-5,5-dibromo-3-methylpent-4-en-2-yl]oxy-dimethylsilane?
tert-butyl-[(2R,3R)-5,5-dibromo-3-methylpent-4-en-2-yl]oxy-dimethylsilane has a molecular weight of 372.22 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3R)-5,5-dibromo-3-methylpent-4-en-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 58750402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).