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

C17H34O2Si — CID 91737718

IUPAChexoxy-dimethyl-(2-methyloct-5-yn-4-yloxy)silane
SMILESCCC#CC(CC(C)C)O[Si](C)(C)OCCCCCC
InChIInChI=1S/C17H34O2Si/c1-7-9-11-12-14-18-20(5,6)19-17(13-10-8-2)15-16(3)4/h16-17H,7-9,11-12,14-15H2,1-6H3
InChIKeyFQIJPLIBAZQYFR-UHFFFAOYSA-N
MW298.54 g/mol
LogP5.13
Rot. Bonds10

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

hexoxy-dimethyl-(2-methyloct-5-yn-4-yloxy)silane (PubChem CID 91737718) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is hexoxy-dimethyl-(2-methyloct-5-yn-4-yloxy)silane.

Molecular Properties

Compound Namehexoxy-dimethyl-(2-methyloct-5-yn-4-yloxy)silane
PubChem CID91737718
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Namehexoxy-dimethyl-(2-methyloct-5-yn-4-yloxy)silane
SMILESCCC#CC(CC(C)C)O[Si](C)(C)OCCCCCC
InChIInChI=1S/C17H34O2Si/c1-7-9-11-12-14-18-20(5,6)19-17(13-10-8-2)15-16(3)4/h16-17H,7-9,11-12,14-15H2,1-6H3
InChIKeyFQIJPLIBAZQYFR-UHFFFAOYSA-N
XLogP5.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.54
LogP ≤ 55.13
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

2-Methyl-4-triisobutylsilyloxyoct-5-yne
CID 531263
4-Dimethyloctylsilyloxy-2-methyloct-5-yne
CID 531297
2-Methyl-4-tripropylsilyloxyoct-5-yne
CID 531307
2-Methyl-4-trihexylsilyloxyoct-5-yne
CID 531318
2-Methyl-4-tributylsilyloxyoct-5-yne
CID 531337
4-Dimethyldodecylsilyloxy-2-methyloct-5-yne
CID 531347
4-Cyclohexyldimethylsilyloxy-2-methyloct-5-yne
CID 531364
Silane, dimethyl(dodec-9-ynyloxy)isohexyloxy-
CID 91698392
Silane, dimethyl(2-methyloct-5-yn-4-yloxy)ethoxy-
CID 91728955
Silane, dimethyl(2-methyloct-5-yn-4-yloxy)propoxy-
CID 91732584
Silane, dimethyl(2-decyloxy)isohexyloxy-
CID 91733279
Silane, dimethyl(2-hexyloxy)isohexyloxy-
CID 91733280

Frequently Asked Questions

What is the IUPAC name of hexoxy-dimethyl-(2-methyloct-5-yn-4-yloxy)silane?
The IUPAC name of hexoxy-dimethyl-(2-methyloct-5-yn-4-yloxy)silane (CID 91737718) is hexoxy-dimethyl-(2-methyloct-5-yn-4-yloxy)silane.
What is the SMILES notation for hexoxy-dimethyl-(2-methyloct-5-yn-4-yloxy)silane?
The canonical SMILES for hexoxy-dimethyl-(2-methyloct-5-yn-4-yloxy)silane is CCC#CC(CC(C)C)O[Si](C)(C)OCCCCCC.
What is the InChIKey of hexoxy-dimethyl-(2-methyloct-5-yn-4-yloxy)silane?
The InChIKey is FQIJPLIBAZQYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-7-9-11-12-14-18-20(5,6)19-17(13-10-8-2)15-16(3)4/h16-17H,7-9,11-12,14-15H2,1-6H3.
What are the key properties of hexoxy-dimethyl-(2-methyloct-5-yn-4-yloxy)silane?
hexoxy-dimethyl-(2-methyloct-5-yn-4-yloxy)silane has a molecular weight of 298.54 g/mol, XLogP of 5.13, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexoxy-dimethyl-(2-methyloct-5-yn-4-yloxy)silane is sourced from PubChem (CID 91737718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).