dichloromethyl-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-dimethylsilane

C13H22Cl2OSi — CID 531253

IUPACdichloromethyl-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-dimethylsilane
SMILESC=C(C)C#CC(CC(C)C)O[Si](C)(C)C(Cl)Cl
InChIInChI=1S/C13H22Cl2OSi/c1-10(2)7-8-12(9-11(3)4)16-17(5,6)13(14)15/h11-13H,1,9H2,2-6H3
InChIKeyVJNAVIMJHIWBFN-UHFFFAOYSA-N
MW293.31 g/mol
LogP4.55
Rot. Bonds5

About dichloromethyl-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-dimethylsilane

dichloromethyl-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-dimethylsilane (PubChem CID 531253) has the molecular formula C13H22Cl2OSi and a molecular weight of 293.31 g/mol. Its IUPAC name is dichloromethyl-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-dimethylsilane.

Molecular Properties

Compound Namedichloromethyl-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-dimethylsilane
PubChem CID531253
Molecular FormulaC13H22Cl2OSi
Molecular Weight293.31 g/mol
Exact Mass292.08
IUPAC Namedichloromethyl-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-dimethylsilane
SMILESC=C(C)C#CC(CC(C)C)O[Si](C)(C)C(Cl)Cl
InChIInChI=1S/C13H22Cl2OSi/c1-10(2)7-8-12(9-11(3)4)16-17(5,6)13(14)15/h11-13H,1,9H2,2-6H3
InChIKeyVJNAVIMJHIWBFN-UHFFFAOYSA-N
XLogP4.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 54.55
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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Related Compounds

4-(Dichloromethyl)dimethylsilyloxy-2-methyloct-5-yne
CID 531252
5-(Dichloromethyl)dimethylsilyloxy-2,6-dimethylnon-1-en-3-yne
CID 531254
2,7-Dimethyl-4-trimethylsilyloxyoct-7-en-5-yne
CID 531271
2,7-Dimethyl-4-dimethylisopropylsilyloxyoct-7-en-5-yne
CID 531290
Silane, chlorodiethyl(2,7-dimethyloct-1-en-3-yn-5-yloxy)-
CID 91735033

Frequently Asked Questions

What is the IUPAC name of dichloromethyl-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-dimethylsilane?
The IUPAC name of dichloromethyl-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-dimethylsilane (CID 531253) is dichloromethyl-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-dimethylsilane.
What is the SMILES notation for dichloromethyl-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-dimethylsilane?
The canonical SMILES for dichloromethyl-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-dimethylsilane is C=C(C)C#CC(CC(C)C)O[Si](C)(C)C(Cl)Cl.
What is the InChIKey of dichloromethyl-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-dimethylsilane?
The InChIKey is VJNAVIMJHIWBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22Cl2OSi/c1-10(2)7-8-12(9-11(3)4)16-17(5,6)13(14)15/h11-13H,1,9H2,2-6H3.
What are the key properties of dichloromethyl-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-dimethylsilane?
dichloromethyl-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-dimethylsilane has a molecular weight of 293.31 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethyl-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-dimethylsilane is sourced from PubChem (CID 531253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).