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

C19H36OSi — CID 531308

IUPAC2,7-dimethyloct-7-en-5-yn-4-yloxy(tripropyl)silane
SMILESC=C(C)C#CC(CC(C)C)O[Si](CCC)(CCC)CCC
InChIInChI=1S/C19H36OSi/c1-8-13-21(14-9-2,15-10-3)20-19(16-18(6)7)12-11-17(4)5/h18-19H,4,8-10,13-16H2,1-3,5-7H3
InChIKeyWQEPEDYYDVQKRH-UHFFFAOYSA-N
MW308.58 g/mol
LogP6.17
Rot. Bonds10

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

2,7-dimethyloct-7-en-5-yn-4-yloxy(tripropyl)silane (PubChem CID 531308) has the molecular formula C19H36OSi and a molecular weight of 308.58 g/mol. Its IUPAC name is 2,7-dimethyloct-7-en-5-yn-4-yloxy(tripropyl)silane.

Molecular Properties

Compound Name2,7-dimethyloct-7-en-5-yn-4-yloxy(tripropyl)silane
PubChem CID531308
Molecular FormulaC19H36OSi
Molecular Weight308.58 g/mol
Exact Mass308.25
IUPAC Name2,7-dimethyloct-7-en-5-yn-4-yloxy(tripropyl)silane
SMILESC=C(C)C#CC(CC(C)C)O[Si](CCC)(CCC)CCC
InChIInChI=1S/C19H36OSi/c1-8-13-21(14-9-2,15-10-3)20-19(16-18(6)7)12-11-17(4)5/h18-19H,4,8-10,13-16H2,1-3,5-7H3
InChIKeyWQEPEDYYDVQKRH-UHFFFAOYSA-N
XLogP6.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.58
LogP ≤ 56.17
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(tripropyl)silane?
The IUPAC name of 2,7-dimethyloct-7-en-5-yn-4-yloxy(tripropyl)silane (CID 531308) is 2,7-dimethyloct-7-en-5-yn-4-yloxy(tripropyl)silane.
What is the SMILES notation for 2,7-dimethyloct-7-en-5-yn-4-yloxy(tripropyl)silane?
The canonical SMILES for 2,7-dimethyloct-7-en-5-yn-4-yloxy(tripropyl)silane is C=C(C)C#CC(CC(C)C)O[Si](CCC)(CCC)CCC.
What is the InChIKey of 2,7-dimethyloct-7-en-5-yn-4-yloxy(tripropyl)silane?
The InChIKey is WQEPEDYYDVQKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36OSi/c1-8-13-21(14-9-2,15-10-3)20-19(16-18(6)7)12-11-17(4)5/h18-19H,4,8-10,13-16H2,1-3,5-7H3.
What are the key properties of 2,7-dimethyloct-7-en-5-yn-4-yloxy(tripropyl)silane?
2,7-dimethyloct-7-en-5-yn-4-yloxy(tripropyl)silane has a molecular weight of 308.58 g/mol, XLogP of 6.17, 10 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(tripropyl)silane is sourced from PubChem (CID 531308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).