tert-butyl-[(3S,4S)-6,6-dibromo-4-methylhex-5-en-3-yl]oxy-dimethylsilane

C13H26Br2OSi — CID 138968819

IUPACtert-butyl-[(3S,4S)-6,6-dibromo-4-methylhex-5-en-3-yl]oxy-dimethylsilane
SMILESCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=C(Br)Br
InChIInChI=1S/C13H26Br2OSi/c1-8-11(10(2)9-12(14)15)16-17(6,7)13(3,4)5/h9-11H,8H2,1-7H3/t10-,11-/m0/s1
InChIKeyDVLPKMBEYVTWQS-QWRGUYRKSA-N
MW386.24 g/mol
LogP6.05
Rot. Bonds5

About tert-butyl-[(3S,4S)-6,6-dibromo-4-methylhex-5-en-3-yl]oxy-dimethylsilane

tert-butyl-[(3S,4S)-6,6-dibromo-4-methylhex-5-en-3-yl]oxy-dimethylsilane (PubChem CID 138968819) has the molecular formula C13H26Br2OSi and a molecular weight of 386.24 g/mol. Its IUPAC name is tert-butyl-[(3S,4S)-6,6-dibromo-4-methylhex-5-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S,4S)-6,6-dibromo-4-methylhex-5-en-3-yl]oxy-dimethylsilane
PubChem CID138968819
Molecular FormulaC13H26Br2OSi
Molecular Weight386.24 g/mol
Exact Mass384.01
IUPAC Nametert-butyl-[(3S,4S)-6,6-dibromo-4-methylhex-5-en-3-yl]oxy-dimethylsilane
SMILESCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=C(Br)Br
InChIInChI=1S/C13H26Br2OSi/c1-8-11(10(2)9-12(14)15)16-17(6,7)13(3,4)5/h9-11H,8H2,1-7H3/t10-,11-/m0/s1
InChIKeyDVLPKMBEYVTWQS-QWRGUYRKSA-N
XLogP6.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.24
LogP ≤ 56.05
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,4S)-6,6-dibromo-4-methylhex-5-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3S,4S)-6,6-dibromo-4-methylhex-5-en-3-yl]oxy-dimethylsilane (CID 138968819) is tert-butyl-[(3S,4S)-6,6-dibromo-4-methylhex-5-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S,4S)-6,6-dibromo-4-methylhex-5-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S,4S)-6,6-dibromo-4-methylhex-5-en-3-yl]oxy-dimethylsilane is CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=C(Br)Br.
What is the InChIKey of tert-butyl-[(3S,4S)-6,6-dibromo-4-methylhex-5-en-3-yl]oxy-dimethylsilane?
The InChIKey is DVLPKMBEYVTWQS-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H26Br2OSi/c1-8-11(10(2)9-12(14)15)16-17(6,7)13(3,4)5/h9-11H,8H2,1-7H3/t10-,11-/m0/s1.
What are the key properties of tert-butyl-[(3S,4S)-6,6-dibromo-4-methylhex-5-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(3S,4S)-6,6-dibromo-4-methylhex-5-en-3-yl]oxy-dimethylsilane has a molecular weight of 386.24 g/mol, XLogP of 6.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S,4S)-6,6-dibromo-4-methylhex-5-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 138968819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).