dimethyl-(2-methyloct-5-yn-4-yloxy)-octoxysilane

C19H38O2Si — CID 91740097

IUPACdimethyl-(2-methyloct-5-yn-4-yloxy)-octoxysilane
SMILESCCC#CC(CC(C)C)O[Si](C)(C)OCCCCCCCC
InChIInChI=1S/C19H38O2Si/c1-7-9-11-12-13-14-16-20-22(5,6)21-19(15-10-8-2)17-18(3)4/h18-19H,7-9,11-14,16-17H2,1-6H3
InChIKeyFHLFOJHWEBOUOH-UHFFFAOYSA-N
MW326.60 g/mol
LogP5.91
Rot. Bonds12

About dimethyl-(2-methyloct-5-yn-4-yloxy)-octoxysilane

dimethyl-(2-methyloct-5-yn-4-yloxy)-octoxysilane (PubChem CID 91740097) has the molecular formula C19H38O2Si and a molecular weight of 326.60 g/mol. Its IUPAC name is dimethyl-(2-methyloct-5-yn-4-yloxy)-octoxysilane.

Molecular Properties

Compound Namedimethyl-(2-methyloct-5-yn-4-yloxy)-octoxysilane
PubChem CID91740097
Molecular FormulaC19H38O2Si
Molecular Weight326.60 g/mol
Exact Mass326.26
IUPAC Namedimethyl-(2-methyloct-5-yn-4-yloxy)-octoxysilane
SMILESCCC#CC(CC(C)C)O[Si](C)(C)OCCCCCCCC
InChIInChI=1S/C19H38O2Si/c1-7-9-11-12-13-14-16-20-22(5,6)21-19(15-10-8-2)17-18(3)4/h18-19H,7-9,11-14,16-17H2,1-6H3
InChIKeyFHLFOJHWEBOUOH-UHFFFAOYSA-N
XLogP5.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.60
LogP ≤ 55.91
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

tert-butyl-dimethyl-[(3R)-undec-1-yn-3-yl]oxysilane
CID 10968002
tert-butyl-[(1R,2R)-2-hex-2-ynylcyclohexyl]oxy-dimethylsilane
CID 134978254
4-Dimethyloctylsilyloxy-2-methyloct-5-yne
CID 531297
4-Dimethyldodecylsilyloxy-2-methyloct-5-yne
CID 531347
Silane, dimethyl(dodec-9-ynyloxy)propoxy-
CID 91697246
Silane, dimethyl(dodec-9-ynyloxy)isohexyloxy-
CID 91698392
Silane, diethylisohexyloxy(2-octyloxy)-
CID 91698413
Silane, diethylisohexyloxy(4-octyloxy)-
CID 91698414
Silane, dimethyl(dodec-9-ynyloxy)ethoxy-
CID 91703734
Silane, dimethyl(2-octyloxy)isobutoxy-
CID 91726674
Silane, dimethyl(2-decyloxy)isobutoxy-
CID 91726677
Silane, dimethyl(2-decyloxy)isohexyloxy-
CID 91733279

Frequently Asked Questions

What is the IUPAC name of dimethyl-(2-methyloct-5-yn-4-yloxy)-octoxysilane?
The IUPAC name of dimethyl-(2-methyloct-5-yn-4-yloxy)-octoxysilane (CID 91740097) is dimethyl-(2-methyloct-5-yn-4-yloxy)-octoxysilane.
What is the SMILES notation for dimethyl-(2-methyloct-5-yn-4-yloxy)-octoxysilane?
The canonical SMILES for dimethyl-(2-methyloct-5-yn-4-yloxy)-octoxysilane is CCC#CC(CC(C)C)O[Si](C)(C)OCCCCCCCC.
What is the InChIKey of dimethyl-(2-methyloct-5-yn-4-yloxy)-octoxysilane?
The InChIKey is FHLFOJHWEBOUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O2Si/c1-7-9-11-12-13-14-16-20-22(5,6)21-19(15-10-8-2)17-18(3)4/h18-19H,7-9,11-14,16-17H2,1-6H3.
What are the key properties of dimethyl-(2-methyloct-5-yn-4-yloxy)-octoxysilane?
dimethyl-(2-methyloct-5-yn-4-yloxy)-octoxysilane has a molecular weight of 326.60 g/mol, XLogP of 5.91, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-methyloct-5-yn-4-yloxy)-octoxysilane is sourced from PubChem (CID 91740097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).