tert-butyl-[(3S)-6-chlorohex-1-yn-3-yl]oxy-dimethylsilane

C12H23ClOSi — CID 71503804

IUPACtert-butyl-[(3S)-6-chlorohex-1-yn-3-yl]oxy-dimethylsilane
SMILESC#C[C@H](CCCCl)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H23ClOSi/c1-7-11(9-8-10-13)14-15(5,6)12(2,3)4/h1,11H,8-10H2,2-6H3/t11-/m1/s1
InChIKeySKMIXYNRSXFFGO-LLVKDONJSA-N
MW246.85 g/mol
LogP4.03
Rot. Bonds5

About tert-butyl-[(3S)-6-chlorohex-1-yn-3-yl]oxy-dimethylsilane

tert-butyl-[(3S)-6-chlorohex-1-yn-3-yl]oxy-dimethylsilane (PubChem CID 71503804) has the molecular formula C12H23ClOSi and a molecular weight of 246.85 g/mol. Its IUPAC name is tert-butyl-[(3S)-6-chlorohex-1-yn-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S)-6-chlorohex-1-yn-3-yl]oxy-dimethylsilane
PubChem CID71503804
Molecular FormulaC12H23ClOSi
Molecular Weight246.85 g/mol
Exact Mass246.12
IUPAC Nametert-butyl-[(3S)-6-chlorohex-1-yn-3-yl]oxy-dimethylsilane
SMILESC#C[C@H](CCCCl)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H23ClOSi/c1-7-11(9-8-10-13)14-15(5,6)12(2,3)4/h1,11H,8-10H2,2-6H3/t11-/m1/s1
InChIKeySKMIXYNRSXFFGO-LLVKDONJSA-N
XLogP4.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.85
LogP ≤ 54.03
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-[(3S)-6-chlorohex-1-yn-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3S)-6-chlorohex-1-yn-3-yl]oxy-dimethylsilane (CID 71503804) is tert-butyl-[(3S)-6-chlorohex-1-yn-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S)-6-chlorohex-1-yn-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S)-6-chlorohex-1-yn-3-yl]oxy-dimethylsilane is C#C[C@H](CCCCl)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3S)-6-chlorohex-1-yn-3-yl]oxy-dimethylsilane?
The InChIKey is SKMIXYNRSXFFGO-LLVKDONJSA-N. The full InChI is InChI=1S/C12H23ClOSi/c1-7-11(9-8-10-13)14-15(5,6)12(2,3)4/h1,11H,8-10H2,2-6H3/t11-/m1/s1.
What are the key properties of tert-butyl-[(3S)-6-chlorohex-1-yn-3-yl]oxy-dimethylsilane?
tert-butyl-[(3S)-6-chlorohex-1-yn-3-yl]oxy-dimethylsilane has a molecular weight of 246.85 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S)-6-chlorohex-1-yn-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 71503804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).