chloro-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-diethylsilane

C14H25ClOSi — CID 91735033

IUPACchloro-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-diethylsilane
SMILESC=C(C)C#CC(CC(C)C)O[Si](Cl)(CC)CC
InChIInChI=1S/C14H25ClOSi/c1-7-17(15,8-2)16-14(11-13(5)6)10-9-12(3)4/h13-14H,3,7-8,11H2,1-2,4-6H3
InChIKeyXHSAWSZFZLNXGX-UHFFFAOYSA-N
MW272.89 g/mol
LogP4.72
Rot. Bonds6

About chloro-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-diethylsilane

chloro-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-diethylsilane (PubChem CID 91735033) has the molecular formula C14H25ClOSi and a molecular weight of 272.89 g/mol. Its IUPAC name is chloro-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-diethylsilane.

Molecular Properties

Compound Namechloro-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-diethylsilane
PubChem CID91735033
Molecular FormulaC14H25ClOSi
Molecular Weight272.89 g/mol
Exact Mass272.14
IUPAC Namechloro-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-diethylsilane
SMILESC=C(C)C#CC(CC(C)C)O[Si](Cl)(CC)CC
InChIInChI=1S/C14H25ClOSi/c1-7-17(15,8-2)16-14(11-13(5)6)10-9-12(3)4/h13-14H,3,7-8,11H2,1-2,4-6H3
InChIKeyXHSAWSZFZLNXGX-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.89
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloro-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-diethylsilane?
The IUPAC name of chloro-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-diethylsilane (CID 91735033) is chloro-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-diethylsilane.
What is the SMILES notation for chloro-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-diethylsilane?
The canonical SMILES for chloro-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-diethylsilane is C=C(C)C#CC(CC(C)C)O[Si](Cl)(CC)CC.
What is the InChIKey of chloro-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-diethylsilane?
The InChIKey is XHSAWSZFZLNXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClOSi/c1-7-17(15,8-2)16-14(11-13(5)6)10-9-12(3)4/h13-14H,3,7-8,11H2,1-2,4-6H3.
What are the key properties of chloro-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-diethylsilane?
chloro-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-diethylsilane has a molecular weight of 272.89 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-diethylsilane is sourced from PubChem (CID 91735033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).