dodecyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane

C23H46OSi — CID 531347

IUPACdodecyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane
SMILESCCC#CC(CC(C)C)O[Si](C)(C)CCCCCCCCCCCC
InChIInChI=1S/C23H46OSi/c1-7-9-11-12-13-14-15-16-17-18-20-25(5,6)24-23(19-10-8-2)21-22(3)4/h22-23H,7-9,11-18,20-21H2,1-6H3
InChIKeyHPMTVLOJAZJOPU-UHFFFAOYSA-N
MW366.71 g/mol
LogP7.96
Rot. Bonds15

About dodecyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane

dodecyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane (PubChem CID 531347) has the molecular formula C23H46OSi and a molecular weight of 366.71 g/mol. Its IUPAC name is dodecyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane.

Molecular Properties

Compound Namedodecyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane
PubChem CID531347
Molecular FormulaC23H46OSi
Molecular Weight366.71 g/mol
Exact Mass366.33
IUPAC Namedodecyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane
SMILESCCC#CC(CC(C)C)O[Si](C)(C)CCCCCCCCCCCC
InChIInChI=1S/C23H46OSi/c1-7-9-11-12-13-14-15-16-17-18-20-25(5,6)24-23(19-10-8-2)21-22(3)4/h22-23H,7-9,11-18,20-21H2,1-6H3
InChIKeyHPMTVLOJAZJOPU-UHFFFAOYSA-N
XLogP7.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.71
LogP ≤ 57.96
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

butyl-dimethyl-tetradecan-2-yloxysilane
CID 554593
dimethyl-silyloxy-tetradecylsilane
CID 173171892
decyl-[hexyl(dimethyl)silyl]oxy-dimethylsilane
CID 139697813
[dimethyl(tricosyl)silyl]oxy-dimethyl-tricosylsilane
CID 141102746
heptyl-[heptyl(dimethyl)silyl]oxy-dimethylsilane
CID 12566776
hexadecoxy-dimethyl-octylsilane
CID 627002
dodecoxy-dimethyl-octylsilane
CID 618139
methoxy-dimethyl-nonylsilane
CID 58695494
hexadecyl-methoxy-dimethylsilane
CID 22228661
2,4-dimethylpentane;ethane;heptane
CID 153392396
diethyl-(4-methylpentan-2-yloxy)-octadecoxysilane
CID 91745192
butyl-dimethyl-octoxysilane
CID 604386

Frequently Asked Questions

What is the IUPAC name of dodecyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane?
The IUPAC name of dodecyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane (CID 531347) is dodecyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane.
What is the SMILES notation for dodecyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane?
The canonical SMILES for dodecyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane is CCC#CC(CC(C)C)O[Si](C)(C)CCCCCCCCCCCC.
What is the InChIKey of dodecyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane?
The InChIKey is HPMTVLOJAZJOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46OSi/c1-7-9-11-12-13-14-15-16-17-18-20-25(5,6)24-23(19-10-8-2)21-22(3)4/h22-23H,7-9,11-18,20-21H2,1-6H3.
What are the key properties of dodecyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane?
dodecyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane has a molecular weight of 366.71 g/mol, XLogP of 7.96, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane is sourced from PubChem (CID 531347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).