2,7-dimethyloct-7-en-5-yn-4-yloxy-dimethyl-octylsilane

C20H38OSi — CID 531298

IUPAC2,7-dimethyloct-7-en-5-yn-4-yloxy-dimethyl-octylsilane
SMILESC=C(C)C#CC(CC(C)C)O[Si](C)(C)CCCCCCCC
InChIInChI=1S/C20H38OSi/c1-8-9-10-11-12-13-16-22(6,7)21-20(17-19(4)5)15-14-18(2)3/h19-20H,2,8-13,16-17H2,1,3-7H3
InChIKeyLPBTZHXWCIOICP-UHFFFAOYSA-N
MW322.61 g/mol
LogP6.56
Rot. Bonds11

About 2,7-dimethyloct-7-en-5-yn-4-yloxy-dimethyl-octylsilane

2,7-dimethyloct-7-en-5-yn-4-yloxy-dimethyl-octylsilane (PubChem CID 531298) has the molecular formula C20H38OSi and a molecular weight of 322.61 g/mol. Its IUPAC name is 2,7-dimethyloct-7-en-5-yn-4-yloxy-dimethyl-octylsilane.

Molecular Properties

Compound Name2,7-dimethyloct-7-en-5-yn-4-yloxy-dimethyl-octylsilane
PubChem CID531298
Molecular FormulaC20H38OSi
Molecular Weight322.61 g/mol
Exact Mass322.27
IUPAC Name2,7-dimethyloct-7-en-5-yn-4-yloxy-dimethyl-octylsilane
SMILESC=C(C)C#CC(CC(C)C)O[Si](C)(C)CCCCCCCC
InChIInChI=1S/C20H38OSi/c1-8-9-10-11-12-13-16-22(6,7)21-20(17-19(4)5)15-14-18(2)3/h19-20H,2,8-13,16-17H2,1,3-7H3
InChIKeyLPBTZHXWCIOICP-UHFFFAOYSA-N
XLogP6.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.61
LogP ≤ 56.56
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 2,7-dimethyloct-7-en-5-yn-4-yloxy-dimethyl-octylsilane?
The IUPAC name of 2,7-dimethyloct-7-en-5-yn-4-yloxy-dimethyl-octylsilane (CID 531298) is 2,7-dimethyloct-7-en-5-yn-4-yloxy-dimethyl-octylsilane.
What is the SMILES notation for 2,7-dimethyloct-7-en-5-yn-4-yloxy-dimethyl-octylsilane?
The canonical SMILES for 2,7-dimethyloct-7-en-5-yn-4-yloxy-dimethyl-octylsilane is C=C(C)C#CC(CC(C)C)O[Si](C)(C)CCCCCCCC.
What is the InChIKey of 2,7-dimethyloct-7-en-5-yn-4-yloxy-dimethyl-octylsilane?
The InChIKey is LPBTZHXWCIOICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38OSi/c1-8-9-10-11-12-13-16-22(6,7)21-20(17-19(4)5)15-14-18(2)3/h19-20H,2,8-13,16-17H2,1,3-7H3.
What are the key properties of 2,7-dimethyloct-7-en-5-yn-4-yloxy-dimethyl-octylsilane?
2,7-dimethyloct-7-en-5-yn-4-yloxy-dimethyl-octylsilane has a molecular weight of 322.61 g/mol, XLogP of 6.56, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyloct-7-en-5-yn-4-yloxy-dimethyl-octylsilane is sourced from PubChem (CID 531298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).