(1-bromo-6-methylhept-2-yn-4-yl)oxy-tert-butyl-dimethylsilane

C14H27BrOSi — CID 87193734

IUPAC(1-bromo-6-methylhept-2-yn-4-yl)oxy-tert-butyl-dimethylsilane
SMILESCC(C)CC(C#CCBr)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27BrOSi/c1-12(2)11-13(9-8-10-15)16-17(6,7)14(3,4)5/h12-13H,10-11H2,1-7H3
InChIKeyVWLAQAKRYQRLKB-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.82
Rot. Bonds4

About (1-bromo-6-methylhept-2-yn-4-yl)oxy-tert-butyl-dimethylsilane

(1-bromo-6-methylhept-2-yn-4-yl)oxy-tert-butyl-dimethylsilane (PubChem CID 87193734) has the molecular formula C14H27BrOSi and a molecular weight of 319.36 g/mol. Its IUPAC name is (1-bromo-6-methylhept-2-yn-4-yl)oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(1-bromo-6-methylhept-2-yn-4-yl)oxy-tert-butyl-dimethylsilane
PubChem CID87193734
Molecular FormulaC14H27BrOSi
Molecular Weight319.36 g/mol
Exact Mass318.10
IUPAC Name(1-bromo-6-methylhept-2-yn-4-yl)oxy-tert-butyl-dimethylsilane
SMILESCC(C)CC(C#CCBr)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27BrOSi/c1-12(2)11-13(9-8-10-15)16-17(6,7)14(3,4)5/h12-13H,10-11H2,1-7H3
InChIKeyVWLAQAKRYQRLKB-UHFFFAOYSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.82
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-bromo-6-methylhept-2-yn-4-yl)oxy-tert-butyl-dimethylsilane?
The IUPAC name of (1-bromo-6-methylhept-2-yn-4-yl)oxy-tert-butyl-dimethylsilane (CID 87193734) is (1-bromo-6-methylhept-2-yn-4-yl)oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (1-bromo-6-methylhept-2-yn-4-yl)oxy-tert-butyl-dimethylsilane?
The canonical SMILES for (1-bromo-6-methylhept-2-yn-4-yl)oxy-tert-butyl-dimethylsilane is CC(C)CC(C#CCBr)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1-bromo-6-methylhept-2-yn-4-yl)oxy-tert-butyl-dimethylsilane?
The InChIKey is VWLAQAKRYQRLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27BrOSi/c1-12(2)11-13(9-8-10-15)16-17(6,7)14(3,4)5/h12-13H,10-11H2,1-7H3.
What are the key properties of (1-bromo-6-methylhept-2-yn-4-yl)oxy-tert-butyl-dimethylsilane?
(1-bromo-6-methylhept-2-yn-4-yl)oxy-tert-butyl-dimethylsilane has a molecular weight of 319.36 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-6-methylhept-2-yn-4-yl)oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 87193734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).