2,7-dimethyloct-7-en-5-yn-4-yloxy(trimethyl)silane

C13H24OSi — CID 531271

IUPAC2,7-dimethyloct-7-en-5-yn-4-yloxy(trimethyl)silane
SMILESC=C(C)C#CC(CC(C)C)O[Si](C)(C)C
InChIInChI=1S/C13H24OSi/c1-11(2)8-9-13(10-12(3)4)14-15(5,6)7/h12-13H,1,10H2,2-7H3
InChIKeyHXFXWPVLPNDEMU-UHFFFAOYSA-N
MW224.42 g/mol
LogP3.83
Rot. Bonds4

About 2,7-dimethyloct-7-en-5-yn-4-yloxy(trimethyl)silane

2,7-dimethyloct-7-en-5-yn-4-yloxy(trimethyl)silane (PubChem CID 531271) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is 2,7-dimethyloct-7-en-5-yn-4-yloxy(trimethyl)silane.

Molecular Properties

Compound Name2,7-dimethyloct-7-en-5-yn-4-yloxy(trimethyl)silane
PubChem CID531271
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Name2,7-dimethyloct-7-en-5-yn-4-yloxy(trimethyl)silane
SMILESC=C(C)C#CC(CC(C)C)O[Si](C)(C)C
InChIInChI=1S/C13H24OSi/c1-11(2)8-9-13(10-12(3)4)14-15(5,6)7/h12-13H,1,10H2,2-7H3
InChIKeyHXFXWPVLPNDEMU-UHFFFAOYSA-N
XLogP3.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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(trimethyl)silane?
The IUPAC name of 2,7-dimethyloct-7-en-5-yn-4-yloxy(trimethyl)silane (CID 531271) is 2,7-dimethyloct-7-en-5-yn-4-yloxy(trimethyl)silane.
What is the SMILES notation for 2,7-dimethyloct-7-en-5-yn-4-yloxy(trimethyl)silane?
The canonical SMILES for 2,7-dimethyloct-7-en-5-yn-4-yloxy(trimethyl)silane is C=C(C)C#CC(CC(C)C)O[Si](C)(C)C.
What is the InChIKey of 2,7-dimethyloct-7-en-5-yn-4-yloxy(trimethyl)silane?
The InChIKey is HXFXWPVLPNDEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24OSi/c1-11(2)8-9-13(10-12(3)4)14-15(5,6)7/h12-13H,1,10H2,2-7H3.
What are the key properties of 2,7-dimethyloct-7-en-5-yn-4-yloxy(trimethyl)silane?
2,7-dimethyloct-7-en-5-yn-4-yloxy(trimethyl)silane has a molecular weight of 224.42 g/mol, XLogP of 3.83, 4 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(trimethyl)silane is sourced from PubChem (CID 531271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).