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

C13H26O2Si — CID 91728955

IUPACethoxy-dimethyl-(2-methyloct-5-yn-4-yloxy)silane
SMILESCCC#CC(CC(C)C)O[Si](C)(C)OCC
InChIInChI=1S/C13H26O2Si/c1-7-9-10-13(11-12(3)4)15-16(5,6)14-8-2/h12-13H,7-8,11H2,1-6H3
InChIKeyLAFFTQOWCGAVEL-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.57
Rot. Bonds6

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

ethoxy-dimethyl-(2-methyloct-5-yn-4-yloxy)silane (PubChem CID 91728955) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is ethoxy-dimethyl-(2-methyloct-5-yn-4-yloxy)silane.

Molecular Properties

Compound Nameethoxy-dimethyl-(2-methyloct-5-yn-4-yloxy)silane
PubChem CID91728955
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Nameethoxy-dimethyl-(2-methyloct-5-yn-4-yloxy)silane
SMILESCCC#CC(CC(C)C)O[Si](C)(C)OCC
InChIInChI=1S/C13H26O2Si/c1-7-9-10-13(11-12(3)4)15-16(5,6)14-8-2/h12-13H,7-8,11H2,1-6H3
InChIKeyLAFFTQOWCGAVEL-UHFFFAOYSA-N
XLogP3.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-Methyl-2-pentanol, TMS derivative
CID 13860854
2-Methyl-4-triisobutylsilyloxyoct-5-yne
CID 531263
2-Methyl-4-trimethylsilyloxyoct-5-yne
CID 531270
4-Dimethylisopropylsilyloxy-2-methyloct-5-yne
CID 531289
2-Methyl-4-tripropylsilyloxyoct-5-yne
CID 531307
2-Methyl-4-trihexylsilyloxyoct-5-yne
CID 531318
4-Butyldimethylsilyloxy-2-methyloct-5-yne
CID 531328
2-Methyl-4-tributylsilyloxyoct-5-yne
CID 531337
4-Diisopropylsilyloxy-2-methyloct-5-yne
CID 6327732
Silane, dimethyl(2-methylpent-3-yloxy)propoxy-
CID 91709966
Silane, dimethyl(4-methylpent-2-yloxy)propoxy-
CID 91723692
Silane, dimethyl(4-methylpent-2-yloxy)isobutoxy-
CID 91726676

Frequently Asked Questions

What is the IUPAC name of ethoxy-dimethyl-(2-methyloct-5-yn-4-yloxy)silane?
The IUPAC name of ethoxy-dimethyl-(2-methyloct-5-yn-4-yloxy)silane (CID 91728955) is ethoxy-dimethyl-(2-methyloct-5-yn-4-yloxy)silane.
What is the SMILES notation for ethoxy-dimethyl-(2-methyloct-5-yn-4-yloxy)silane?
The canonical SMILES for ethoxy-dimethyl-(2-methyloct-5-yn-4-yloxy)silane is CCC#CC(CC(C)C)O[Si](C)(C)OCC.
What is the InChIKey of ethoxy-dimethyl-(2-methyloct-5-yn-4-yloxy)silane?
The InChIKey is LAFFTQOWCGAVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-7-9-10-13(11-12(3)4)15-16(5,6)14-8-2/h12-13H,7-8,11H2,1-6H3.
What are the key properties of ethoxy-dimethyl-(2-methyloct-5-yn-4-yloxy)silane?
ethoxy-dimethyl-(2-methyloct-5-yn-4-yloxy)silane has a molecular weight of 242.43 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-dimethyl-(2-methyloct-5-yn-4-yloxy)silane is sourced from PubChem (CID 91728955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).