but-3-yn-2-yloxy-(dichloromethyl)-dimethylsilane

C7H12Cl2OSi — CID 531248

IUPACbut-3-yn-2-yloxy-(dichloromethyl)-dimethylsilane
SMILESC#CC(C)O[Si](C)(C)C(Cl)Cl
InChIInChI=1S/C7H12Cl2OSi/c1-5-6(2)10-11(3,4)7(8)9/h1,6-7H,2-4H3
InChIKeyKCXLVLPMOPDWQW-UHFFFAOYSA-N
MW211.16 g/mol
LogP2.57
Rot. Bonds3

About but-3-yn-2-yloxy-(dichloromethyl)-dimethylsilane

but-3-yn-2-yloxy-(dichloromethyl)-dimethylsilane (PubChem CID 531248) has the molecular formula C7H12Cl2OSi and a molecular weight of 211.16 g/mol. Its IUPAC name is but-3-yn-2-yloxy-(dichloromethyl)-dimethylsilane.

Molecular Properties

Compound Namebut-3-yn-2-yloxy-(dichloromethyl)-dimethylsilane
PubChem CID531248
Molecular FormulaC7H12Cl2OSi
Molecular Weight211.16 g/mol
Exact Mass210.00
IUPAC Namebut-3-yn-2-yloxy-(dichloromethyl)-dimethylsilane
SMILESC#CC(C)O[Si](C)(C)C(Cl)Cl
InChIInChI=1S/C7H12Cl2OSi/c1-5-6(2)10-11(3,4)7(8)9/h1,6-7H,2-4H3
InChIKeyKCXLVLPMOPDWQW-UHFFFAOYSA-N
XLogP2.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.16
LogP ≤ 52.57
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 but-3-yn-2-yloxy-(dichloromethyl)-dimethylsilane?
The IUPAC name of but-3-yn-2-yloxy-(dichloromethyl)-dimethylsilane (CID 531248) is but-3-yn-2-yloxy-(dichloromethyl)-dimethylsilane.
What is the SMILES notation for but-3-yn-2-yloxy-(dichloromethyl)-dimethylsilane?
The canonical SMILES for but-3-yn-2-yloxy-(dichloromethyl)-dimethylsilane is C#CC(C)O[Si](C)(C)C(Cl)Cl.
What is the InChIKey of but-3-yn-2-yloxy-(dichloromethyl)-dimethylsilane?
The InChIKey is KCXLVLPMOPDWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Cl2OSi/c1-5-6(2)10-11(3,4)7(8)9/h1,6-7H,2-4H3.
What are the key properties of but-3-yn-2-yloxy-(dichloromethyl)-dimethylsilane?
but-3-yn-2-yloxy-(dichloromethyl)-dimethylsilane has a molecular weight of 211.16 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-yn-2-yloxy-(dichloromethyl)-dimethylsilane is sourced from PubChem (CID 531248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).