heptadecoxy-hex-4-yn-3-yloxy-dimethylsilane

C25H50O2Si — CID 91744329

IUPACheptadecoxy-hex-4-yn-3-yloxy-dimethylsilane
SMILESCC#CC(CC)O[Si](C)(C)OCCCCCCCCCCCCCCCCC
InChIInChI=1S/C25H50O2Si/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26-28(4,5)27-25(8-3)23-7-2/h25H,6,8-22,24H2,1-5H3
InChIKeyADWSTLMQNHOZIH-UHFFFAOYSA-N
MW410.76 g/mol
LogP8.39
Rot. Bonds20

About heptadecoxy-hex-4-yn-3-yloxy-dimethylsilane

heptadecoxy-hex-4-yn-3-yloxy-dimethylsilane (PubChem CID 91744329) has the molecular formula C25H50O2Si and a molecular weight of 410.76 g/mol. Its IUPAC name is heptadecoxy-hex-4-yn-3-yloxy-dimethylsilane.

Molecular Properties

Compound Nameheptadecoxy-hex-4-yn-3-yloxy-dimethylsilane
PubChem CID91744329
Molecular FormulaC25H50O2Si
Molecular Weight410.76 g/mol
Exact Mass410.36
IUPAC Nameheptadecoxy-hex-4-yn-3-yloxy-dimethylsilane
SMILESCC#CC(CC)O[Si](C)(C)OCCCCCCCCCCCCCCCCC
InChIInChI=1S/C25H50O2Si/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26-28(4,5)27-25(8-3)23-7-2/h25H,6,8-22,24H2,1-5H3
InChIKeyADWSTLMQNHOZIH-UHFFFAOYSA-N
XLogP8.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.76
LogP ≤ 58.39
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 heptadecoxy-hex-4-yn-3-yloxy-dimethylsilane?
The IUPAC name of heptadecoxy-hex-4-yn-3-yloxy-dimethylsilane (CID 91744329) is heptadecoxy-hex-4-yn-3-yloxy-dimethylsilane.
What is the SMILES notation for heptadecoxy-hex-4-yn-3-yloxy-dimethylsilane?
The canonical SMILES for heptadecoxy-hex-4-yn-3-yloxy-dimethylsilane is CC#CC(CC)O[Si](C)(C)OCCCCCCCCCCCCCCCCC.
What is the InChIKey of heptadecoxy-hex-4-yn-3-yloxy-dimethylsilane?
The InChIKey is ADWSTLMQNHOZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50O2Si/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26-28(4,5)27-25(8-3)23-7-2/h25H,6,8-22,24H2,1-5H3.
What are the key properties of heptadecoxy-hex-4-yn-3-yloxy-dimethylsilane?
heptadecoxy-hex-4-yn-3-yloxy-dimethylsilane has a molecular weight of 410.76 g/mol, XLogP of 8.39, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptadecoxy-hex-4-yn-3-yloxy-dimethylsilane is sourced from PubChem (CID 91744329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).