(2S)-4,4-dibromo-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol

C10H20Br2O2Si — CID 135037255

IUPAC(2S)-4,4-dibromo-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](O)C=C(Br)Br
InChIInChI=1S/C10H20Br2O2Si/c1-10(2,3)15(4,5)14-7-8(13)6-9(11)12/h6,8,13H,7H2,1-5H3/t8-/m0/s1
InChIKeyMNTKAPGFHCTQIH-QMMMGPOBSA-N
MW360.16 g/mol
LogP4.00
Rot. Bonds4

About (2S)-4,4-dibromo-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol

(2S)-4,4-dibromo-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol (PubChem CID 135037255) has the molecular formula C10H20Br2O2Si and a molecular weight of 360.16 g/mol. Its IUPAC name is (2S)-4,4-dibromo-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol.

Molecular Properties

Compound Name(2S)-4,4-dibromo-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol
PubChem CID135037255
Molecular FormulaC10H20Br2O2Si
Molecular Weight360.16 g/mol
Exact Mass357.96
IUPAC Name(2S)-4,4-dibromo-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](O)C=C(Br)Br
InChIInChI=1S/C10H20Br2O2Si/c1-10(2,3)15(4,5)14-7-8(13)6-9(11)12/h6,8,13H,7H2,1-5H3/t8-/m0/s1
InChIKeyMNTKAPGFHCTQIH-QMMMGPOBSA-N
XLogP4.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.16
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (2S)-4,4-dibromo-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol?
The IUPAC name of (2S)-4,4-dibromo-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol (CID 135037255) is (2S)-4,4-dibromo-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol.
What is the SMILES notation for (2S)-4,4-dibromo-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol?
The canonical SMILES for (2S)-4,4-dibromo-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol is CC(C)(C)[Si](C)(C)OC[C@@H](O)C=C(Br)Br.
What is the InChIKey of (2S)-4,4-dibromo-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol?
The InChIKey is MNTKAPGFHCTQIH-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20Br2O2Si/c1-10(2,3)15(4,5)14-7-8(13)6-9(11)12/h6,8,13H,7H2,1-5H3/t8-/m0/s1.
What are the key properties of (2S)-4,4-dibromo-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol?
(2S)-4,4-dibromo-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol has a molecular weight of 360.16 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4,4-dibromo-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol is sourced from PubChem (CID 135037255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).