2,6-dimethylnon-1-en-3-yn-5-yloxy(tripropyl)silane

C20H38OSi — CID 531309

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

About 2,6-dimethylnon-1-en-3-yn-5-yloxy(tripropyl)silane

2,6-dimethylnon-1-en-3-yn-5-yloxy(tripropyl)silane (PubChem CID 531309) has the molecular formula C20H38OSi and a molecular weight of 322.61 g/mol. Its IUPAC name is 2,6-dimethylnon-1-en-3-yn-5-yloxy(tripropyl)silane.

Molecular Properties

Compound Name2,6-dimethylnon-1-en-3-yn-5-yloxy(tripropyl)silane
PubChem CID531309
Molecular FormulaC20H38OSi
Molecular Weight322.61 g/mol
Exact Mass322.27
IUPAC Name2,6-dimethylnon-1-en-3-yn-5-yloxy(tripropyl)silane
SMILESC=C(C)C#CC(O[Si](CCC)(CCC)CCC)C(C)CCC
InChIInChI=1S/C20H38OSi/c1-8-12-19(7)20(14-13-18(5)6)21-22(15-9-2,16-10-3)17-11-4/h19-20H,5,8-12,15-17H2,1-4,6-7H3
InChIKeyNKRBJKQPNNLFEW-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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethylnon-1-en-3-yn-5-yloxy-dimethyl-(2-methylpropoxy)silane
CID 91736012
2,6-dimethylnon-1-en-3-yn-5-yloxy-dimethyl-propoxysilane
CID 91734335
2,6-dimethylnon-1-en-3-yn-5-yl butanoate
CID 530929
2,6-dimethylnon-1-en-3-yn-5-yl 2,2-dimethylpropanoate
CID 531140
2,6-dimethylnon-1-en-3-yn-5-yl 2,2,2-trichloroacetate
CID 531065
2,6-dimethylnon-1-en-3-yn-5-yl 2-acetyloxyacetate
CID 531013
4-O-(2,6-dimethylnon-1-en-3-yn-5-yl) 1-O-(1,1,1-trifluoropropan-2-yl) butanedioate
CID 91732381
6-O-(2,6-dimethylnon-1-en-3-yn-5-yl) 1-O-pentyl hexanedioate
CID 91713544
10-O-(2,6-dimethylnon-1-en-3-yn-5-yl) 1-O-heptyl decanedioate
CID 91729019
2,6-dimethylnon-1-en-3-yn-5-yl 3-bromobenzoate
CID 530951
2,6-dimethylnon-1-en-3-yn-5-yl 2-(trifluoromethyl)benzoate
CID 531210
1-O-(8-chlorooctyl) 5-O-(2,6-dimethylnon-1-en-3-yn-5-yl) pentanedioate
CID 91706429

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylnon-1-en-3-yn-5-yloxy(tripropyl)silane?
The IUPAC name of 2,6-dimethylnon-1-en-3-yn-5-yloxy(tripropyl)silane (CID 531309) is 2,6-dimethylnon-1-en-3-yn-5-yloxy(tripropyl)silane.
What is the SMILES notation for 2,6-dimethylnon-1-en-3-yn-5-yloxy(tripropyl)silane?
The canonical SMILES for 2,6-dimethylnon-1-en-3-yn-5-yloxy(tripropyl)silane is C=C(C)C#CC(O[Si](CCC)(CCC)CCC)C(C)CCC.
What is the InChIKey of 2,6-dimethylnon-1-en-3-yn-5-yloxy(tripropyl)silane?
The InChIKey is NKRBJKQPNNLFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38OSi/c1-8-12-19(7)20(14-13-18(5)6)21-22(15-9-2,16-10-3)17-11-4/h19-20H,5,8-12,15-17H2,1-4,6-7H3.
What are the key properties of 2,6-dimethylnon-1-en-3-yn-5-yloxy(tripropyl)silane?
2,6-dimethylnon-1-en-3-yn-5-yloxy(tripropyl)silane 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 2,6-dimethylnon-1-en-3-yn-5-yloxy(tripropyl)silane is sourced from PubChem (CID 531309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).