tert-butyl-[(3S)-5,5-dibromo-3-methylpent-4-enoxy]-dimethylsilane

C12H24Br2OSi — CID 24865334

IUPACtert-butyl-[(3S)-5,5-dibromo-3-methylpent-4-enoxy]-dimethylsilane
SMILESC[C@H](C=C(Br)Br)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24Br2OSi/c1-10(9-11(13)14)7-8-15-16(5,6)12(2,3)4/h9-10H,7-8H2,1-6H3/t10-/m0/s1
InChIKeyAHHWJIUDNLQPBB-JTQLQIEISA-N
MW372.22 g/mol
LogP5.67
Rot. Bonds5

About tert-butyl-[(3S)-5,5-dibromo-3-methylpent-4-enoxy]-dimethylsilane

tert-butyl-[(3S)-5,5-dibromo-3-methylpent-4-enoxy]-dimethylsilane (PubChem CID 24865334) has the molecular formula C12H24Br2OSi and a molecular weight of 372.22 g/mol. Its IUPAC name is tert-butyl-[(3S)-5,5-dibromo-3-methylpent-4-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S)-5,5-dibromo-3-methylpent-4-enoxy]-dimethylsilane
PubChem CID24865334
Molecular FormulaC12H24Br2OSi
Molecular Weight372.22 g/mol
Exact Mass370.00
IUPAC Nametert-butyl-[(3S)-5,5-dibromo-3-methylpent-4-enoxy]-dimethylsilane
SMILESC[C@H](C=C(Br)Br)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24Br2OSi/c1-10(9-11(13)14)7-8-15-16(5,6)12(2,3)4/h9-10H,7-8H2,1-6H3/t10-/m0/s1
InChIKeyAHHWJIUDNLQPBB-JTQLQIEISA-N
XLogP5.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.22
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S)-5,5-dibromo-3-methylpent-4-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(3S)-5,5-dibromo-3-methylpent-4-enoxy]-dimethylsilane (CID 24865334) is tert-butyl-[(3S)-5,5-dibromo-3-methylpent-4-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S)-5,5-dibromo-3-methylpent-4-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S)-5,5-dibromo-3-methylpent-4-enoxy]-dimethylsilane is C[C@H](C=C(Br)Br)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3S)-5,5-dibromo-3-methylpent-4-enoxy]-dimethylsilane?
The InChIKey is AHHWJIUDNLQPBB-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24Br2OSi/c1-10(9-11(13)14)7-8-15-16(5,6)12(2,3)4/h9-10H,7-8H2,1-6H3/t10-/m0/s1.
What are the key properties of tert-butyl-[(3S)-5,5-dibromo-3-methylpent-4-enoxy]-dimethylsilane?
tert-butyl-[(3S)-5,5-dibromo-3-methylpent-4-enoxy]-dimethylsilane has a molecular weight of 372.22 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S)-5,5-dibromo-3-methylpent-4-enoxy]-dimethylsilane is sourced from PubChem (CID 24865334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).