2,7-dimethyloct-7-en-5-yn-4-yloxy-diethyl-undecoxysilane

C25H48O2Si — CID 91744291

IUPAC2,7-dimethyloct-7-en-5-yn-4-yloxy-diethyl-undecoxysilane
SMILESC=C(C)C#CC(CC(C)C)O[Si](CC)(CC)OCCCCCCCCCCC
InChIInChI=1S/C25H48O2Si/c1-8-11-12-13-14-15-16-17-18-21-26-28(9-2,10-3)27-25(22-24(6)7)20-19-23(4)5/h24-25H,4,8-18,21-22H2,1-3,5-7H3
InChIKeyDSAXMUMFYNXNGA-UHFFFAOYSA-N
MW408.74 g/mol
LogP8.03
Rot. Bonds17

About 2,7-dimethyloct-7-en-5-yn-4-yloxy-diethyl-undecoxysilane

2,7-dimethyloct-7-en-5-yn-4-yloxy-diethyl-undecoxysilane (PubChem CID 91744291) has the molecular formula C25H48O2Si and a molecular weight of 408.74 g/mol. Its IUPAC name is 2,7-dimethyloct-7-en-5-yn-4-yloxy-diethyl-undecoxysilane.

Molecular Properties

Compound Name2,7-dimethyloct-7-en-5-yn-4-yloxy-diethyl-undecoxysilane
PubChem CID91744291
Molecular FormulaC25H48O2Si
Molecular Weight408.74 g/mol
Exact Mass408.34
IUPAC Name2,7-dimethyloct-7-en-5-yn-4-yloxy-diethyl-undecoxysilane
SMILESC=C(C)C#CC(CC(C)C)O[Si](CC)(CC)OCCCCCCCCCCC
InChIInChI=1S/C25H48O2Si/c1-8-11-12-13-14-15-16-17-18-21-26-28(9-2,10-3)27-25(22-24(6)7)20-19-23(4)5/h24-25H,4,8-18,21-22H2,1-3,5-7H3
InChIKeyDSAXMUMFYNXNGA-UHFFFAOYSA-N
XLogP8.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.74
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-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
2,7-Dimethyl-4-tributylsilyloxyoct-7-en-5-yne
CID 531338
2,7-Dimethyl-4-dimethyldodecylsilyloxyoct-7-en-5-yne
CID 531348

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyloct-7-en-5-yn-4-yloxy-diethyl-undecoxysilane?
The IUPAC name of 2,7-dimethyloct-7-en-5-yn-4-yloxy-diethyl-undecoxysilane (CID 91744291) is 2,7-dimethyloct-7-en-5-yn-4-yloxy-diethyl-undecoxysilane.
What is the SMILES notation for 2,7-dimethyloct-7-en-5-yn-4-yloxy-diethyl-undecoxysilane?
The canonical SMILES for 2,7-dimethyloct-7-en-5-yn-4-yloxy-diethyl-undecoxysilane is C=C(C)C#CC(CC(C)C)O[Si](CC)(CC)OCCCCCCCCCCC.
What is the InChIKey of 2,7-dimethyloct-7-en-5-yn-4-yloxy-diethyl-undecoxysilane?
The InChIKey is DSAXMUMFYNXNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48O2Si/c1-8-11-12-13-14-15-16-17-18-21-26-28(9-2,10-3)27-25(22-24(6)7)20-19-23(4)5/h24-25H,4,8-18,21-22H2,1-3,5-7H3.
What are the key properties of 2,7-dimethyloct-7-en-5-yn-4-yloxy-diethyl-undecoxysilane?
2,7-dimethyloct-7-en-5-yn-4-yloxy-diethyl-undecoxysilane has a molecular weight of 408.74 g/mol, XLogP of 8.03, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyloct-7-en-5-yn-4-yloxy-diethyl-undecoxysilane is sourced from PubChem (CID 91744291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).