dichloromethyl-hex-4-yn-3-yloxy-dimethylsilane

C9H16Cl2OSi — CID 531251

IUPACdichloromethyl-hex-4-yn-3-yloxy-dimethylsilane
SMILESCC#CC(CC)O[Si](C)(C)C(Cl)Cl
InChIInChI=1S/C9H16Cl2OSi/c1-5-7-8(6-2)12-13(3,4)9(10)11/h8-9H,6H2,1-4H3
InChIKeyPIVOYVLFKANDOS-UHFFFAOYSA-N
MW239.22 g/mol
LogP3.35
Rot. Bonds4

About dichloromethyl-hex-4-yn-3-yloxy-dimethylsilane

dichloromethyl-hex-4-yn-3-yloxy-dimethylsilane (PubChem CID 531251) has the molecular formula C9H16Cl2OSi and a molecular weight of 239.22 g/mol. Its IUPAC name is dichloromethyl-hex-4-yn-3-yloxy-dimethylsilane.

Molecular Properties

Compound Namedichloromethyl-hex-4-yn-3-yloxy-dimethylsilane
PubChem CID531251
Molecular FormulaC9H16Cl2OSi
Molecular Weight239.22 g/mol
Exact Mass238.03
IUPAC Namedichloromethyl-hex-4-yn-3-yloxy-dimethylsilane
SMILESCC#CC(CC)O[Si](C)(C)C(Cl)Cl
InChIInChI=1S/C9H16Cl2OSi/c1-5-7-8(6-2)12-13(3,4)9(10)11/h8-9H,6H2,1-4H3
InChIKeyPIVOYVLFKANDOS-UHFFFAOYSA-N
XLogP3.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 53.35
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 dichloromethyl-hex-4-yn-3-yloxy-dimethylsilane?
The IUPAC name of dichloromethyl-hex-4-yn-3-yloxy-dimethylsilane (CID 531251) is dichloromethyl-hex-4-yn-3-yloxy-dimethylsilane.
What is the SMILES notation for dichloromethyl-hex-4-yn-3-yloxy-dimethylsilane?
The canonical SMILES for dichloromethyl-hex-4-yn-3-yloxy-dimethylsilane is CC#CC(CC)O[Si](C)(C)C(Cl)Cl.
What is the InChIKey of dichloromethyl-hex-4-yn-3-yloxy-dimethylsilane?
The InChIKey is PIVOYVLFKANDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16Cl2OSi/c1-5-7-8(6-2)12-13(3,4)9(10)11/h8-9H,6H2,1-4H3.
What are the key properties of dichloromethyl-hex-4-yn-3-yloxy-dimethylsilane?
dichloromethyl-hex-4-yn-3-yloxy-dimethylsilane has a molecular weight of 239.22 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethyl-hex-4-yn-3-yloxy-dimethylsilane is sourced from PubChem (CID 531251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).