(5-bromo-2-methylhex-1-en-3-yl)oxy-tert-butyl-dimethylsilane

C13H27BrOSi — CID 101011304

IUPAC(5-bromo-2-methylhex-1-en-3-yl)oxy-tert-butyl-dimethylsilane
SMILESC=C(C)C(CC(C)Br)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H27BrOSi/c1-10(2)12(9-11(3)14)15-16(7,8)13(4,5)6/h11-12H,1,9H2,2-8H3
InChIKeyTVTIJLGKICWNPY-UHFFFAOYSA-N
MW307.35 g/mol
LogP5.13
Rot. Bonds5

About (5-bromo-2-methylhex-1-en-3-yl)oxy-tert-butyl-dimethylsilane

(5-bromo-2-methylhex-1-en-3-yl)oxy-tert-butyl-dimethylsilane (PubChem CID 101011304) has the molecular formula C13H27BrOSi and a molecular weight of 307.35 g/mol. Its IUPAC name is (5-bromo-2-methylhex-1-en-3-yl)oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(5-bromo-2-methylhex-1-en-3-yl)oxy-tert-butyl-dimethylsilane
PubChem CID101011304
Molecular FormulaC13H27BrOSi
Molecular Weight307.35 g/mol
Exact Mass306.10
IUPAC Name(5-bromo-2-methylhex-1-en-3-yl)oxy-tert-butyl-dimethylsilane
SMILESC=C(C)C(CC(C)Br)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H27BrOSi/c1-10(2)12(9-11(3)14)15-16(7,8)13(4,5)6/h11-12H,1,9H2,2-8H3
InChIKeyTVTIJLGKICWNPY-UHFFFAOYSA-N
XLogP5.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.35
LogP ≤ 55.13
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylhex-1-en-3-yl)oxy-tert-butyl-dimethylsilane?
The IUPAC name of (5-bromo-2-methylhex-1-en-3-yl)oxy-tert-butyl-dimethylsilane (CID 101011304) is (5-bromo-2-methylhex-1-en-3-yl)oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (5-bromo-2-methylhex-1-en-3-yl)oxy-tert-butyl-dimethylsilane?
The canonical SMILES for (5-bromo-2-methylhex-1-en-3-yl)oxy-tert-butyl-dimethylsilane is C=C(C)C(CC(C)Br)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5-bromo-2-methylhex-1-en-3-yl)oxy-tert-butyl-dimethylsilane?
The InChIKey is TVTIJLGKICWNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27BrOSi/c1-10(2)12(9-11(3)14)15-16(7,8)13(4,5)6/h11-12H,1,9H2,2-8H3.
What are the key properties of (5-bromo-2-methylhex-1-en-3-yl)oxy-tert-butyl-dimethylsilane?
(5-bromo-2-methylhex-1-en-3-yl)oxy-tert-butyl-dimethylsilane has a molecular weight of 307.35 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylhex-1-en-3-yl)oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 101011304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).