2,7-dimethyloct-7-en-5-yn-4-yloxy-dodecoxy-diethylsilane

C26H50O2Si — CID 91744598

IUPAC2,7-dimethyloct-7-en-5-yn-4-yloxy-dodecoxy-diethylsilane
SMILESC=C(C)C#CC(CC(C)C)O[Si](CC)(CC)OCCCCCCCCCCCC
InChIInChI=1S/C26H50O2Si/c1-8-11-12-13-14-15-16-17-18-19-22-27-29(9-2,10-3)28-26(23-25(6)7)21-20-24(4)5/h25-26H,4,8-19,22-23H2,1-3,5-7H3
InChIKeyMZADUYULRSDYCT-UHFFFAOYSA-N
MW422.77 g/mol
LogP8.42
Rot. Bonds18

About 2,7-dimethyloct-7-en-5-yn-4-yloxy-dodecoxy-diethylsilane

2,7-dimethyloct-7-en-5-yn-4-yloxy-dodecoxy-diethylsilane (PubChem CID 91744598) has the molecular formula C26H50O2Si and a molecular weight of 422.77 g/mol. Its IUPAC name is 2,7-dimethyloct-7-en-5-yn-4-yloxy-dodecoxy-diethylsilane.

Molecular Properties

Compound Name2,7-dimethyloct-7-en-5-yn-4-yloxy-dodecoxy-diethylsilane
PubChem CID91744598
Molecular FormulaC26H50O2Si
Molecular Weight422.77 g/mol
Exact Mass422.36
IUPAC Name2,7-dimethyloct-7-en-5-yn-4-yloxy-dodecoxy-diethylsilane
SMILESC=C(C)C#CC(CC(C)C)O[Si](CC)(CC)OCCCCCCCCCCCC
InChIInChI=1S/C26H50O2Si/c1-8-11-12-13-14-15-16-17-18-19-22-27-29(9-2,10-3)28-26(23-25(6)7)21-20-24(4)5/h25-26H,4,8-19,22-23H2,1-3,5-7H3
InChIKeyMZADUYULRSDYCT-UHFFFAOYSA-N
XLogP8.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.77
LogP ≤ 58.42
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-dodecoxy-diethylsilane?
The IUPAC name of 2,7-dimethyloct-7-en-5-yn-4-yloxy-dodecoxy-diethylsilane (CID 91744598) is 2,7-dimethyloct-7-en-5-yn-4-yloxy-dodecoxy-diethylsilane.
What is the SMILES notation for 2,7-dimethyloct-7-en-5-yn-4-yloxy-dodecoxy-diethylsilane?
The canonical SMILES for 2,7-dimethyloct-7-en-5-yn-4-yloxy-dodecoxy-diethylsilane is C=C(C)C#CC(CC(C)C)O[Si](CC)(CC)OCCCCCCCCCCCC.
What is the InChIKey of 2,7-dimethyloct-7-en-5-yn-4-yloxy-dodecoxy-diethylsilane?
The InChIKey is MZADUYULRSDYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50O2Si/c1-8-11-12-13-14-15-16-17-18-19-22-27-29(9-2,10-3)28-26(23-25(6)7)21-20-24(4)5/h25-26H,4,8-19,22-23H2,1-3,5-7H3.
What are the key properties of 2,7-dimethyloct-7-en-5-yn-4-yloxy-dodecoxy-diethylsilane?
2,7-dimethyloct-7-en-5-yn-4-yloxy-dodecoxy-diethylsilane has a molecular weight of 422.77 g/mol, XLogP of 8.42, 18 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-dodecoxy-diethylsilane is sourced from PubChem (CID 91744598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).