[(2S)-4,4-dibromo-2-methylbut-3-enoxy]-tri(propan-2-yl)silane

C14H28Br2OSi — CID 24740711

IUPAC[(2S)-4,4-dibromo-2-methylbut-3-enoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC[C@@H](C)C=C(Br)Br)(C(C)C)C(C)C
InChIInChI=1S/C14H28Br2OSi/c1-10(2)18(11(3)4,12(5)6)17-9-13(7)8-14(15)16/h8,10-13H,9H2,1-7H3/t13-/m0/s1
InChIKeyUAIISBKGNSVBNW-ZDUSSCGKSA-N
MW400.27 g/mol
LogP6.45
Rot. Bonds7

About [(2S)-4,4-dibromo-2-methylbut-3-enoxy]-tri(propan-2-yl)silane

[(2S)-4,4-dibromo-2-methylbut-3-enoxy]-tri(propan-2-yl)silane (PubChem CID 24740711) has the molecular formula C14H28Br2OSi and a molecular weight of 400.27 g/mol. Its IUPAC name is [(2S)-4,4-dibromo-2-methylbut-3-enoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2S)-4,4-dibromo-2-methylbut-3-enoxy]-tri(propan-2-yl)silane
PubChem CID24740711
Molecular FormulaC14H28Br2OSi
Molecular Weight400.27 g/mol
Exact Mass398.03
IUPAC Name[(2S)-4,4-dibromo-2-methylbut-3-enoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC[C@@H](C)C=C(Br)Br)(C(C)C)C(C)C
InChIInChI=1S/C14H28Br2OSi/c1-10(2)18(11(3)4,12(5)6)17-9-13(7)8-14(15)16/h8,10-13H,9H2,1-7H3/t13-/m0/s1
InChIKeyUAIISBKGNSVBNW-ZDUSSCGKSA-N
XLogP6.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.27
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(2S)-4,4-dibromo-2-methylbut-3-enoxy]-tri(propan-2-yl)silane 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 [(2S)-4,4-dibromo-2-methylbut-3-enoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(2S)-4,4-dibromo-2-methylbut-3-enoxy]-tri(propan-2-yl)silane (CID 24740711) is [(2S)-4,4-dibromo-2-methylbut-3-enoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(2S)-4,4-dibromo-2-methylbut-3-enoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(2S)-4,4-dibromo-2-methylbut-3-enoxy]-tri(propan-2-yl)silane is CC(C)[Si](OC[C@@H](C)C=C(Br)Br)(C(C)C)C(C)C.
What is the InChIKey of [(2S)-4,4-dibromo-2-methylbut-3-enoxy]-tri(propan-2-yl)silane?
The InChIKey is UAIISBKGNSVBNW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H28Br2OSi/c1-10(2)18(11(3)4,12(5)6)17-9-13(7)8-14(15)16/h8,10-13H,9H2,1-7H3/t13-/m0/s1.
What are the key properties of [(2S)-4,4-dibromo-2-methylbut-3-enoxy]-tri(propan-2-yl)silane?
[(2S)-4,4-dibromo-2-methylbut-3-enoxy]-tri(propan-2-yl)silane has a molecular weight of 400.27 g/mol, XLogP of 6.45, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4,4-dibromo-2-methylbut-3-enoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 24740711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).