hex-4-yn-3-yloxy-dimethyl-nonoxysilane

C17H34O2Si — CID 91740020

IUPAChex-4-yn-3-yloxy-dimethyl-nonoxysilane
SMILESCC#CC(CC)O[Si](C)(C)OCCCCCCCCC
InChIInChI=1S/C17H34O2Si/c1-6-9-10-11-12-13-14-16-18-20(4,5)19-17(8-3)15-7-2/h17H,6,8-14,16H2,1-5H3
InChIKeyUOVGVKGJOYEITQ-UHFFFAOYSA-N
MW298.54 g/mol
LogP5.27
Rot. Bonds12

About hex-4-yn-3-yloxy-dimethyl-nonoxysilane

hex-4-yn-3-yloxy-dimethyl-nonoxysilane (PubChem CID 91740020) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is hex-4-yn-3-yloxy-dimethyl-nonoxysilane.

Molecular Properties

Compound Namehex-4-yn-3-yloxy-dimethyl-nonoxysilane
PubChem CID91740020
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Namehex-4-yn-3-yloxy-dimethyl-nonoxysilane
SMILESCC#CC(CC)O[Si](C)(C)OCCCCCCCCC
InChIInChI=1S/C17H34O2Si/c1-6-9-10-11-12-13-14-16-18-20(4,5)19-17(8-3)15-7-2/h17H,6,8-14,16H2,1-5H3
InChIKeyUOVGVKGJOYEITQ-UHFFFAOYSA-N
XLogP5.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.54
LogP ≤ 55.27
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

Silane, dimethyloctyloxyoctyloxy-
CID 14228745
Silane, dimethyldecyloxydecyloxy-
CID 23342514
Silane, dimethyldi(2-octyloxy)-
CID 85708223
Silane, dimethyldi(2-heptyloxy)-
CID 85694061
Cyclododecanol, TMS
CID 526025
bis(Dodecyloxy)(dimethyl)silane
CID 20716717
Dimethyl(bis(tetradecyloxy))silane
CID 71372948
3-Dimethylsilyloxypentadecane
CID 6328887
tert-butyl-dimethyl-[(3R)-undec-1-yn-3-yl]oxysilane
CID 10968002
4-Henicosyl-2,2-di-methyl-1,3-dioxa-2-silacyclohexane
CID 129725167
1-Fluoroicosan-8-yloxy-methoxy-methyl-propylsilane
CID 141458490
Ethoxy-(8-fluorooctyl)-methyl-pentadecan-2-yloxysilane
CID 149956655

Frequently Asked Questions

What is the IUPAC name of hex-4-yn-3-yloxy-dimethyl-nonoxysilane?
The IUPAC name of hex-4-yn-3-yloxy-dimethyl-nonoxysilane (CID 91740020) is hex-4-yn-3-yloxy-dimethyl-nonoxysilane.
What is the SMILES notation for hex-4-yn-3-yloxy-dimethyl-nonoxysilane?
The canonical SMILES for hex-4-yn-3-yloxy-dimethyl-nonoxysilane is CC#CC(CC)O[Si](C)(C)OCCCCCCCCC.
What is the InChIKey of hex-4-yn-3-yloxy-dimethyl-nonoxysilane?
The InChIKey is UOVGVKGJOYEITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-6-9-10-11-12-13-14-16-18-20(4,5)19-17(8-3)15-7-2/h17H,6,8-14,16H2,1-5H3.
What are the key properties of hex-4-yn-3-yloxy-dimethyl-nonoxysilane?
hex-4-yn-3-yloxy-dimethyl-nonoxysilane has a molecular weight of 298.54 g/mol, XLogP of 5.27, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hex-4-yn-3-yloxy-dimethyl-nonoxysilane is sourced from PubChem (CID 91740020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).