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

C14H27ClOSi — CID 10869514

IUPACtert-butyl-(1-chloro-6-methylhept-2-yn-4-yl)oxy-dimethylsilane
SMILESCC(C)CC(C#CCCl)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27ClOSi/c1-12(2)11-13(9-8-10-15)16-17(6,7)14(3,4)5/h12-13H,10-11H2,1-7H3
InChIKeyRYVAMOYOHLCJGK-UHFFFAOYSA-N
MW274.91 g/mol
LogP4.67
Rot. Bonds4

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

tert-butyl-(1-chloro-6-methylhept-2-yn-4-yl)oxy-dimethylsilane (PubChem CID 10869514) has the molecular formula C14H27ClOSi and a molecular weight of 274.91 g/mol. Its IUPAC name is tert-butyl-(1-chloro-6-methylhept-2-yn-4-yl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(1-chloro-6-methylhept-2-yn-4-yl)oxy-dimethylsilane
PubChem CID10869514
Molecular FormulaC14H27ClOSi
Molecular Weight274.91 g/mol
Exact Mass274.15
IUPAC Nametert-butyl-(1-chloro-6-methylhept-2-yn-4-yl)oxy-dimethylsilane
SMILESCC(C)CC(C#CCCl)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27ClOSi/c1-12(2)11-13(9-8-10-15)16-17(6,7)14(3,4)5/h12-13H,10-11H2,1-7H3
InChIKeyRYVAMOYOHLCJGK-UHFFFAOYSA-N
XLogP4.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.91
LogP ≤ 54.67
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 tert-butyl-(1-chloro-6-methylhept-2-yn-4-yl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(1-chloro-6-methylhept-2-yn-4-yl)oxy-dimethylsilane (CID 10869514) is tert-butyl-(1-chloro-6-methylhept-2-yn-4-yl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(1-chloro-6-methylhept-2-yn-4-yl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(1-chloro-6-methylhept-2-yn-4-yl)oxy-dimethylsilane is CC(C)CC(C#CCCl)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(1-chloro-6-methylhept-2-yn-4-yl)oxy-dimethylsilane?
The InChIKey is RYVAMOYOHLCJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27ClOSi/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 tert-butyl-(1-chloro-6-methylhept-2-yn-4-yl)oxy-dimethylsilane?
tert-butyl-(1-chloro-6-methylhept-2-yn-4-yl)oxy-dimethylsilane has a molecular weight of 274.91 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1-chloro-6-methylhept-2-yn-4-yl)oxy-dimethylsilane is sourced from PubChem (CID 10869514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).