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

C14H28O2Si — CID 91732584

IUPACdimethyl-(2-methyloct-5-yn-4-yloxy)-propoxysilane
SMILESCCC#CC(CC(C)C)O[Si](C)(C)OCCC
InChIInChI=1S/C14H28O2Si/c1-7-9-10-14(12-13(3)4)16-17(5,6)15-11-8-2/h13-14H,7-8,11-12H2,1-6H3
InChIKeyJBEMRXOMBGWQBE-UHFFFAOYSA-N
MW256.46 g/mol
LogP3.96
Rot. Bonds7

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

dimethyl-(2-methyloct-5-yn-4-yloxy)-propoxysilane (PubChem CID 91732584) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is dimethyl-(2-methyloct-5-yn-4-yloxy)-propoxysilane.

Molecular Properties

Compound Namedimethyl-(2-methyloct-5-yn-4-yloxy)-propoxysilane
PubChem CID91732584
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Namedimethyl-(2-methyloct-5-yn-4-yloxy)-propoxysilane
SMILESCCC#CC(CC(C)C)O[Si](C)(C)OCCC
InChIInChI=1S/C14H28O2Si/c1-7-9-10-14(12-13(3)4)16-17(5,6)15-11-8-2/h13-14H,7-8,11-12H2,1-6H3
InChIKeyJBEMRXOMBGWQBE-UHFFFAOYSA-N
XLogP3.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.96
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 dimethyl-(2-methyloct-5-yn-4-yloxy)-propoxysilane?
The IUPAC name of dimethyl-(2-methyloct-5-yn-4-yloxy)-propoxysilane (CID 91732584) is dimethyl-(2-methyloct-5-yn-4-yloxy)-propoxysilane.
What is the SMILES notation for dimethyl-(2-methyloct-5-yn-4-yloxy)-propoxysilane?
The canonical SMILES for dimethyl-(2-methyloct-5-yn-4-yloxy)-propoxysilane is CCC#CC(CC(C)C)O[Si](C)(C)OCCC.
What is the InChIKey of dimethyl-(2-methyloct-5-yn-4-yloxy)-propoxysilane?
The InChIKey is JBEMRXOMBGWQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-7-9-10-14(12-13(3)4)16-17(5,6)15-11-8-2/h13-14H,7-8,11-12H2,1-6H3.
What are the key properties of dimethyl-(2-methyloct-5-yn-4-yloxy)-propoxysilane?
dimethyl-(2-methyloct-5-yn-4-yloxy)-propoxysilane has a molecular weight of 256.46 g/mol, XLogP of 3.96, 7 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)-propoxysilane is sourced from PubChem (CID 91732584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).