dichloromethyl-(2,6-dimethylnon-1-en-3-yn-5-yloxy)-dimethylsilane

C14H24Cl2OSi — CID 531254

IUPACdichloromethyl-(2,6-dimethylnon-1-en-3-yn-5-yloxy)-dimethylsilane
SMILESC=C(C)C#CC(O[Si](C)(C)C(Cl)Cl)C(C)CCC
InChIInChI=1S/C14H24Cl2OSi/c1-7-8-12(4)13(10-9-11(2)3)17-18(5,6)14(15)16/h12-14H,2,7-8H2,1,3-6H3
InChIKeyMCADYWSYHFNHDE-UHFFFAOYSA-N
MW307.34 g/mol
LogP4.94
Rot. Bonds6

About dichloromethyl-(2,6-dimethylnon-1-en-3-yn-5-yloxy)-dimethylsilane

dichloromethyl-(2,6-dimethylnon-1-en-3-yn-5-yloxy)-dimethylsilane (PubChem CID 531254) has the molecular formula C14H24Cl2OSi and a molecular weight of 307.34 g/mol. Its IUPAC name is dichloromethyl-(2,6-dimethylnon-1-en-3-yn-5-yloxy)-dimethylsilane.

Molecular Properties

Compound Namedichloromethyl-(2,6-dimethylnon-1-en-3-yn-5-yloxy)-dimethylsilane
PubChem CID531254
Molecular FormulaC14H24Cl2OSi
Molecular Weight307.34 g/mol
Exact Mass306.10
IUPAC Namedichloromethyl-(2,6-dimethylnon-1-en-3-yn-5-yloxy)-dimethylsilane
SMILESC=C(C)C#CC(O[Si](C)(C)C(Cl)Cl)C(C)CCC
InChIInChI=1S/C14H24Cl2OSi/c1-7-8-12(4)13(10-9-11(2)3)17-18(5,6)14(15)16/h12-14H,2,7-8H2,1,3-6H3
InChIKeyMCADYWSYHFNHDE-UHFFFAOYSA-N
XLogP4.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 54.94
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-2,7-dimethyloct-7-en-5-yne
CID 531253
2,6-Dimethyl-5-trimethylsilyloxynon-1-en-3-yne
CID 531272
2,6-Dimethyl-6-dimethylisopropylsilyloxynon-1-en-3-yne
CID 531291
5-Diisopropylsilyloxy-2,6-dimethylnon-1-en-3-yne
CID 6327734
Silane, dimethyl(2,6-dimethylnon-1-en-3-yn-5-yloxy)ethoxy-
CID 91732395
Silane, dimethyl(2,6-dimethylnon-1-en-3-yn-5-yloxy)propoxy-
CID 91734335
Silane, chlorodiethyl(2,6-dimethylnon-1-en-3-yn-5yloxy)-
CID 91735032

Frequently Asked Questions

What is the IUPAC name of dichloromethyl-(2,6-dimethylnon-1-en-3-yn-5-yloxy)-dimethylsilane?
The IUPAC name of dichloromethyl-(2,6-dimethylnon-1-en-3-yn-5-yloxy)-dimethylsilane (CID 531254) is dichloromethyl-(2,6-dimethylnon-1-en-3-yn-5-yloxy)-dimethylsilane.
What is the SMILES notation for dichloromethyl-(2,6-dimethylnon-1-en-3-yn-5-yloxy)-dimethylsilane?
The canonical SMILES for dichloromethyl-(2,6-dimethylnon-1-en-3-yn-5-yloxy)-dimethylsilane is C=C(C)C#CC(O[Si](C)(C)C(Cl)Cl)C(C)CCC.
What is the InChIKey of dichloromethyl-(2,6-dimethylnon-1-en-3-yn-5-yloxy)-dimethylsilane?
The InChIKey is MCADYWSYHFNHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24Cl2OSi/c1-7-8-12(4)13(10-9-11(2)3)17-18(5,6)14(15)16/h12-14H,2,7-8H2,1,3-6H3.
What are the key properties of dichloromethyl-(2,6-dimethylnon-1-en-3-yn-5-yloxy)-dimethylsilane?
dichloromethyl-(2,6-dimethylnon-1-en-3-yn-5-yloxy)-dimethylsilane has a molecular weight of 307.34 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethyl-(2,6-dimethylnon-1-en-3-yn-5-yloxy)-dimethylsilane is sourced from PubChem (CID 531254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).