[(3R,4S)-6-bromo-2,4-dimethylhexan-3-yl]oxy-tert-butyl-dimethylsilane

C14H31BrOSi — CID 10615894

IUPAC[(3R,4S)-6-bromo-2,4-dimethylhexan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CCBr
InChIInChI=1S/C14H31BrOSi/c1-11(2)13(12(3)9-10-15)16-17(7,8)14(4,5)6/h11-13H,9-10H2,1-8H3/t12-,13+/m0/s1
InChIKeyJKYGSDYMYNFONS-QWHCGFSZSA-N
MW323.39 g/mol
LogP5.45
Rot. Bonds6

About [(3R,4S)-6-bromo-2,4-dimethylhexan-3-yl]oxy-tert-butyl-dimethylsilane

[(3R,4S)-6-bromo-2,4-dimethylhexan-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 10615894) has the molecular formula C14H31BrOSi and a molecular weight of 323.39 g/mol. Its IUPAC name is [(3R,4S)-6-bromo-2,4-dimethylhexan-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3R,4S)-6-bromo-2,4-dimethylhexan-3-yl]oxy-tert-butyl-dimethylsilane
PubChem CID10615894
Molecular FormulaC14H31BrOSi
Molecular Weight323.39 g/mol
Exact Mass322.13
IUPAC Name[(3R,4S)-6-bromo-2,4-dimethylhexan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CCBr
InChIInChI=1S/C14H31BrOSi/c1-11(2)13(12(3)9-10-15)16-17(7,8)14(4,5)6/h11-13H,9-10H2,1-8H3/t12-,13+/m0/s1
InChIKeyJKYGSDYMYNFONS-QWHCGFSZSA-N
XLogP5.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.39
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-6-bromo-2,4-dimethylhexan-3-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3R,4S)-6-bromo-2,4-dimethylhexan-3-yl]oxy-tert-butyl-dimethylsilane (CID 10615894) is [(3R,4S)-6-bromo-2,4-dimethylhexan-3-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3R,4S)-6-bromo-2,4-dimethylhexan-3-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3R,4S)-6-bromo-2,4-dimethylhexan-3-yl]oxy-tert-butyl-dimethylsilane is CC(C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CCBr.
What is the InChIKey of [(3R,4S)-6-bromo-2,4-dimethylhexan-3-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is JKYGSDYMYNFONS-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H31BrOSi/c1-11(2)13(12(3)9-10-15)16-17(7,8)14(4,5)6/h11-13H,9-10H2,1-8H3/t12-,13+/m0/s1.
What are the key properties of [(3R,4S)-6-bromo-2,4-dimethylhexan-3-yl]oxy-tert-butyl-dimethylsilane?
[(3R,4S)-6-bromo-2,4-dimethylhexan-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 323.39 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-6-bromo-2,4-dimethylhexan-3-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10615894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).