2,6-dimethylnon-1-en-3-yn-5-yloxy-dodecyl-dimethylsilane

C25H48OSi — CID 531349

IUPAC2,6-dimethylnon-1-en-3-yn-5-yloxy-dodecyl-dimethylsilane
SMILESC=C(C)C#CC(O[Si](C)(C)CCCCCCCCCCCC)C(C)CCC
InChIInChI=1S/C25H48OSi/c1-8-10-11-12-13-14-15-16-17-18-22-27(6,7)26-25(21-20-23(3)4)24(5)19-9-2/h24-25H,3,8-19,22H2,1-2,4-7H3
InChIKeyLXUCVZBQYQKIJP-UHFFFAOYSA-N
MW392.74 g/mol
LogP8.51
Rot. Bonds16

About 2,6-dimethylnon-1-en-3-yn-5-yloxy-dodecyl-dimethylsilane

2,6-dimethylnon-1-en-3-yn-5-yloxy-dodecyl-dimethylsilane (PubChem CID 531349) has the molecular formula C25H48OSi and a molecular weight of 392.74 g/mol. Its IUPAC name is 2,6-dimethylnon-1-en-3-yn-5-yloxy-dodecyl-dimethylsilane.

Molecular Properties

Compound Name2,6-dimethylnon-1-en-3-yn-5-yloxy-dodecyl-dimethylsilane
PubChem CID531349
Molecular FormulaC25H48OSi
Molecular Weight392.74 g/mol
Exact Mass392.35
IUPAC Name2,6-dimethylnon-1-en-3-yn-5-yloxy-dodecyl-dimethylsilane
SMILESC=C(C)C#CC(O[Si](C)(C)CCCCCCCCCCCC)C(C)CCC
InChIInChI=1S/C25H48OSi/c1-8-10-11-12-13-14-15-16-17-18-22-27(6,7)26-25(21-20-23(3)4)24(5)19-9-2/h24-25H,3,8-19,22H2,1-2,4-7H3
InChIKeyLXUCVZBQYQKIJP-UHFFFAOYSA-N
XLogP8.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.74
LogP ≤ 58.51
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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Related Compounds

5-Butyldimethylsilyloxy-2,6-dimethylnon-1-en-3-yne
CID 531330
2,7-Dimethyl-4-triisobutylsilyloxyoct-7-en-5-yne
CID 531264
2,6-Dimethyl-5-triisobutylsilyloxynon-1-en-3-yne
CID 531265
2,6-Dimethyl-5-trimethylsilyloxynon-1-en-3-yne
CID 531272
2,6-Dimethyl-6-dimethylisopropylsilyloxynon-1-en-3-yne
CID 531291
2,7-Dimethyl-4-dimethyloctylsilyloxyoct-7-en-5-yne
CID 531298
2,6-Dimethyl-5-dimethyloctylsilyloxynon-1-en-3-yne
CID 531299
2,7-Dimethyl-4-tripropylsilyloxyoct-7-en-5-yne
CID 531308
2,6-Dimethyl-5-tripropylsilyloxynon-1-en-3-yne
CID 531309
2,7-Dimethyl-4-trihexylsilyloxyoct-7-en-5-yne
CID 531319
2,6-Dimethyl-5-trihehylsilyloxynon-1-en-3-yne
CID 531320
4-Butyldimethylsilyloxy-2,7-dimethyloct-7-en-5-yne
CID 531329

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylnon-1-en-3-yn-5-yloxy-dodecyl-dimethylsilane?
The IUPAC name of 2,6-dimethylnon-1-en-3-yn-5-yloxy-dodecyl-dimethylsilane (CID 531349) is 2,6-dimethylnon-1-en-3-yn-5-yloxy-dodecyl-dimethylsilane.
What is the SMILES notation for 2,6-dimethylnon-1-en-3-yn-5-yloxy-dodecyl-dimethylsilane?
The canonical SMILES for 2,6-dimethylnon-1-en-3-yn-5-yloxy-dodecyl-dimethylsilane is C=C(C)C#CC(O[Si](C)(C)CCCCCCCCCCCC)C(C)CCC.
What is the InChIKey of 2,6-dimethylnon-1-en-3-yn-5-yloxy-dodecyl-dimethylsilane?
The InChIKey is LXUCVZBQYQKIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48OSi/c1-8-10-11-12-13-14-15-16-17-18-22-27(6,7)26-25(21-20-23(3)4)24(5)19-9-2/h24-25H,3,8-19,22H2,1-2,4-7H3.
What are the key properties of 2,6-dimethylnon-1-en-3-yn-5-yloxy-dodecyl-dimethylsilane?
2,6-dimethylnon-1-en-3-yn-5-yloxy-dodecyl-dimethylsilane has a molecular weight of 392.74 g/mol, XLogP of 8.51, 16 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-dodecyl-dimethylsilane is sourced from PubChem (CID 531349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).