2,6-dimethylnon-1-en-3-yn-5-yloxy-dimethyl-octylsilane

C21H40OSi — CID 531299

IUPAC2,6-dimethylnon-1-en-3-yn-5-yloxy-dimethyl-octylsilane
SMILESC=C(C)C#CC(O[Si](C)(C)CCCCCCCC)C(C)CCC
InChIInChI=1S/C21H40OSi/c1-8-10-11-12-13-14-18-23(6,7)22-21(17-16-19(3)4)20(5)15-9-2/h20-21H,3,8-15,18H2,1-2,4-7H3
InChIKeyAYWOJHOECPRUNL-UHFFFAOYSA-N
MW336.64 g/mol
LogP6.95
Rot. Bonds12

About 2,6-dimethylnon-1-en-3-yn-5-yloxy-dimethyl-octylsilane

2,6-dimethylnon-1-en-3-yn-5-yloxy-dimethyl-octylsilane (PubChem CID 531299) has the molecular formula C21H40OSi and a molecular weight of 336.64 g/mol. Its IUPAC name is 2,6-dimethylnon-1-en-3-yn-5-yloxy-dimethyl-octylsilane.

Molecular Properties

Compound Name2,6-dimethylnon-1-en-3-yn-5-yloxy-dimethyl-octylsilane
PubChem CID531299
Molecular FormulaC21H40OSi
Molecular Weight336.64 g/mol
Exact Mass336.28
IUPAC Name2,6-dimethylnon-1-en-3-yn-5-yloxy-dimethyl-octylsilane
SMILESC=C(C)C#CC(O[Si](C)(C)CCCCCCCC)C(C)CCC
InChIInChI=1S/C21H40OSi/c1-8-10-11-12-13-14-18-23(6,7)22-21(17-16-19(3)4)20(5)15-9-2/h20-21H,3,8-15,18H2,1-2,4-7H3
InChIKeyAYWOJHOECPRUNL-UHFFFAOYSA-N
XLogP6.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.64
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 2,6-dimethylnon-1-en-3-yn-5-yloxy-dimethyl-octylsilane?
The IUPAC name of 2,6-dimethylnon-1-en-3-yn-5-yloxy-dimethyl-octylsilane (CID 531299) is 2,6-dimethylnon-1-en-3-yn-5-yloxy-dimethyl-octylsilane.
What is the SMILES notation for 2,6-dimethylnon-1-en-3-yn-5-yloxy-dimethyl-octylsilane?
The canonical SMILES for 2,6-dimethylnon-1-en-3-yn-5-yloxy-dimethyl-octylsilane is C=C(C)C#CC(O[Si](C)(C)CCCCCCCC)C(C)CCC.
What is the InChIKey of 2,6-dimethylnon-1-en-3-yn-5-yloxy-dimethyl-octylsilane?
The InChIKey is AYWOJHOECPRUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40OSi/c1-8-10-11-12-13-14-18-23(6,7)22-21(17-16-19(3)4)20(5)15-9-2/h20-21H,3,8-15,18H2,1-2,4-7H3.
What are the key properties of 2,6-dimethylnon-1-en-3-yn-5-yloxy-dimethyl-octylsilane?
2,6-dimethylnon-1-en-3-yn-5-yloxy-dimethyl-octylsilane has a molecular weight of 336.64 g/mol, XLogP of 6.95, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylnon-1-en-3-yn-5-yloxy-dimethyl-octylsilane is sourced from PubChem (CID 531299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).