dimethyl-non-5-yn-3-yloxy-pentadecoxysilane

C26H52O2Si — CID 91743366

IUPACdimethyl-non-5-yn-3-yloxy-pentadecoxysilane
SMILESCCCC#CCC(CC)O[Si](C)(C)OCCCCCCCCCCCCCCC
InChIInChI=1S/C26H52O2Si/c1-6-9-11-13-14-15-16-17-18-19-20-21-23-25-27-29(4,5)28-26(8-3)24-22-12-10-7-2/h26H,6-11,13-21,23-25H2,1-5H3
InChIKeyOSJLDJOBWWJMAE-UHFFFAOYSA-N
MW424.79 g/mol
LogP8.78
Rot. Bonds20

About dimethyl-non-5-yn-3-yloxy-pentadecoxysilane

dimethyl-non-5-yn-3-yloxy-pentadecoxysilane (PubChem CID 91743366) has the molecular formula C26H52O2Si and a molecular weight of 424.79 g/mol. Its IUPAC name is dimethyl-non-5-yn-3-yloxy-pentadecoxysilane.

Molecular Properties

Compound Namedimethyl-non-5-yn-3-yloxy-pentadecoxysilane
PubChem CID91743366
Molecular FormulaC26H52O2Si
Molecular Weight424.79 g/mol
Exact Mass424.37
IUPAC Namedimethyl-non-5-yn-3-yloxy-pentadecoxysilane
SMILESCCCC#CCC(CC)O[Si](C)(C)OCCCCCCCCCCCCCCC
InChIInChI=1S/C26H52O2Si/c1-6-9-11-13-14-15-16-17-18-19-20-21-23-25-27-29(4,5)28-26(8-3)24-22-12-10-7-2/h26H,6-11,13-21,23-25H2,1-5H3
InChIKeyOSJLDJOBWWJMAE-UHFFFAOYSA-N
XLogP8.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.79
LogP ≤ 58.78
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 dimethyl-non-5-yn-3-yloxy-pentadecoxysilane?
The IUPAC name of dimethyl-non-5-yn-3-yloxy-pentadecoxysilane (CID 91743366) is dimethyl-non-5-yn-3-yloxy-pentadecoxysilane.
What is the SMILES notation for dimethyl-non-5-yn-3-yloxy-pentadecoxysilane?
The canonical SMILES for dimethyl-non-5-yn-3-yloxy-pentadecoxysilane is CCCC#CCC(CC)O[Si](C)(C)OCCCCCCCCCCCCCCC.
What is the InChIKey of dimethyl-non-5-yn-3-yloxy-pentadecoxysilane?
The InChIKey is OSJLDJOBWWJMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52O2Si/c1-6-9-11-13-14-15-16-17-18-19-20-21-23-25-27-29(4,5)28-26(8-3)24-22-12-10-7-2/h26H,6-11,13-21,23-25H2,1-5H3.
What are the key properties of dimethyl-non-5-yn-3-yloxy-pentadecoxysilane?
dimethyl-non-5-yn-3-yloxy-pentadecoxysilane has a molecular weight of 424.79 g/mol, XLogP of 8.78, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-non-5-yn-3-yloxy-pentadecoxysilane is sourced from PubChem (CID 91743366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).