2,7-dimethyloct-7-en-5-yn-4-yloxy-dodecyl-dimethylsilane

C24H46OSi — CID 531348

IUPAC2,7-dimethyloct-7-en-5-yn-4-yloxy-dodecyl-dimethylsilane
SMILESC=C(C)C#CC(CC(C)C)O[Si](C)(C)CCCCCCCCCCCC
InChIInChI=1S/C24H46OSi/c1-8-9-10-11-12-13-14-15-16-17-20-26(6,7)25-24(21-23(4)5)19-18-22(2)3/h23-24H,2,8-17,20-21H2,1,3-7H3
InChIKeyVWQZYDIQETWILZ-UHFFFAOYSA-N
MW378.72 g/mol
LogP8.12
Rot. Bonds15

About 2,7-dimethyloct-7-en-5-yn-4-yloxy-dodecyl-dimethylsilane

2,7-dimethyloct-7-en-5-yn-4-yloxy-dodecyl-dimethylsilane (PubChem CID 531348) has the molecular formula C24H46OSi and a molecular weight of 378.72 g/mol. Its IUPAC name is 2,7-dimethyloct-7-en-5-yn-4-yloxy-dodecyl-dimethylsilane.

Molecular Properties

Compound Name2,7-dimethyloct-7-en-5-yn-4-yloxy-dodecyl-dimethylsilane
PubChem CID531348
Molecular FormulaC24H46OSi
Molecular Weight378.72 g/mol
Exact Mass378.33
IUPAC Name2,7-dimethyloct-7-en-5-yn-4-yloxy-dodecyl-dimethylsilane
SMILESC=C(C)C#CC(CC(C)C)O[Si](C)(C)CCCCCCCCCCCC
InChIInChI=1S/C24H46OSi/c1-8-9-10-11-12-13-14-15-16-17-20-26(6,7)25-24(21-23(4)5)19-18-22(2)3/h23-24H,2,8-17,20-21H2,1,3-7H3
InChIKeyVWQZYDIQETWILZ-UHFFFAOYSA-N
XLogP8.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.72
LogP ≤ 58.12
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
2,7-Dimethyl-4-trimethylsilyloxyoct-7-en-5-yne
CID 531271
2,7-Dimethyl-4-dimethylisopropylsilyloxyoct-7-en-5-yne
CID 531290
2,6-Dimethyl-6-dimethylisopropylsilyloxynon-1-en-3-yne
CID 531291
4-Dimethyloctylsilyloxy-2-methyloct-5-yne
CID 531297
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

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyloct-7-en-5-yn-4-yloxy-dodecyl-dimethylsilane?
The IUPAC name of 2,7-dimethyloct-7-en-5-yn-4-yloxy-dodecyl-dimethylsilane (CID 531348) is 2,7-dimethyloct-7-en-5-yn-4-yloxy-dodecyl-dimethylsilane.
What is the SMILES notation for 2,7-dimethyloct-7-en-5-yn-4-yloxy-dodecyl-dimethylsilane?
The canonical SMILES for 2,7-dimethyloct-7-en-5-yn-4-yloxy-dodecyl-dimethylsilane is C=C(C)C#CC(CC(C)C)O[Si](C)(C)CCCCCCCCCCCC.
What is the InChIKey of 2,7-dimethyloct-7-en-5-yn-4-yloxy-dodecyl-dimethylsilane?
The InChIKey is VWQZYDIQETWILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46OSi/c1-8-9-10-11-12-13-14-15-16-17-20-26(6,7)25-24(21-23(4)5)19-18-22(2)3/h23-24H,2,8-17,20-21H2,1,3-7H3.
What are the key properties of 2,7-dimethyloct-7-en-5-yn-4-yloxy-dodecyl-dimethylsilane?
2,7-dimethyloct-7-en-5-yn-4-yloxy-dodecyl-dimethylsilane has a molecular weight of 378.72 g/mol, XLogP of 8.12, 15 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-dodecyl-dimethylsilane is sourced from PubChem (CID 531348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).