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

C16H32O2Si — CID 91736185

IUPACdimethyl-(2-methyloct-5-yn-4-yloxy)-pentoxysilane
SMILESCCC#CC(CC(C)C)O[Si](C)(C)OCCCCC
InChIInChI=1S/C16H32O2Si/c1-7-9-11-13-17-19(5,6)18-16(12-10-8-2)14-15(3)4/h15-16H,7-9,11,13-14H2,1-6H3
InChIKeySZYVMTZJKMGDDV-UHFFFAOYSA-N
MW284.52 g/mol
LogP4.74
Rot. Bonds9

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

dimethyl-(2-methyloct-5-yn-4-yloxy)-pentoxysilane (PubChem CID 91736185) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is dimethyl-(2-methyloct-5-yn-4-yloxy)-pentoxysilane.

Molecular Properties

Compound Namedimethyl-(2-methyloct-5-yn-4-yloxy)-pentoxysilane
PubChem CID91736185
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Namedimethyl-(2-methyloct-5-yn-4-yloxy)-pentoxysilane
SMILESCCC#CC(CC(C)C)O[Si](C)(C)OCCCCC
InChIInChI=1S/C16H32O2Si/c1-7-9-11-13-17-19(5,6)18-16(12-10-8-2)14-15(3)4/h15-16H,7-9,11,13-14H2,1-6H3
InChIKeySZYVMTZJKMGDDV-UHFFFAOYSA-N
XLogP4.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.74
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
2-Methyl-4-trimethylsilyloxyoct-5-yne
CID 531270
4-Dimethylisopropylsilyloxy-2-methyloct-5-yne
CID 531289
4-Dimethyloctylsilyloxy-2-methyloct-5-yne
CID 531297
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-Dimethyldodecylsilyloxy-2-methyloct-5-yne
CID 531347
4-Cyclohexyldimethylsilyloxy-2-methyloct-5-yne
CID 531364
4-Diisopropylsilyloxy-2-methyloct-5-yne
CID 6327732
Silane, diethylisohexyloxy(4-methylpent-2-yloxy)-
CID 91698408

Frequently Asked Questions

What is the IUPAC name of dimethyl-(2-methyloct-5-yn-4-yloxy)-pentoxysilane?
The IUPAC name of dimethyl-(2-methyloct-5-yn-4-yloxy)-pentoxysilane (CID 91736185) is dimethyl-(2-methyloct-5-yn-4-yloxy)-pentoxysilane.
What is the SMILES notation for dimethyl-(2-methyloct-5-yn-4-yloxy)-pentoxysilane?
The canonical SMILES for dimethyl-(2-methyloct-5-yn-4-yloxy)-pentoxysilane is CCC#CC(CC(C)C)O[Si](C)(C)OCCCCC.
What is the InChIKey of dimethyl-(2-methyloct-5-yn-4-yloxy)-pentoxysilane?
The InChIKey is SZYVMTZJKMGDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-7-9-11-13-17-19(5,6)18-16(12-10-8-2)14-15(3)4/h15-16H,7-9,11,13-14H2,1-6H3.
What are the key properties of dimethyl-(2-methyloct-5-yn-4-yloxy)-pentoxysilane?
dimethyl-(2-methyloct-5-yn-4-yloxy)-pentoxysilane has a molecular weight of 284.52 g/mol, XLogP of 4.74, 9 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)-pentoxysilane is sourced from PubChem (CID 91736185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).