dimethyl-non-5-yn-3-yloxy-undecoxysilane

C22H44O2Si — CID 91741052

IUPACdimethyl-non-5-yn-3-yloxy-undecoxysilane
SMILESCCCC#CCC(CC)O[Si](C)(C)OCCCCCCCCCCC
InChIInChI=1S/C22H44O2Si/c1-6-9-11-13-14-15-16-17-19-21-23-25(4,5)24-22(8-3)20-18-12-10-7-2/h22H,6-11,13-17,19-21H2,1-5H3
InChIKeyQGSRJFFIBBKSBT-UHFFFAOYSA-N
MW368.68 g/mol
LogP7.22
Rot. Bonds16

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

dimethyl-non-5-yn-3-yloxy-undecoxysilane (PubChem CID 91741052) has the molecular formula C22H44O2Si and a molecular weight of 368.68 g/mol. Its IUPAC name is dimethyl-non-5-yn-3-yloxy-undecoxysilane.

Molecular Properties

Compound Namedimethyl-non-5-yn-3-yloxy-undecoxysilane
PubChem CID91741052
Molecular FormulaC22H44O2Si
Molecular Weight368.68 g/mol
Exact Mass368.31
IUPAC Namedimethyl-non-5-yn-3-yloxy-undecoxysilane
SMILESCCCC#CCC(CC)O[Si](C)(C)OCCCCCCCCCCC
InChIInChI=1S/C22H44O2Si/c1-6-9-11-13-14-15-16-17-19-21-23-25(4,5)24-22(8-3)20-18-12-10-7-2/h22H,6-11,13-17,19-21H2,1-5H3
InChIKeyQGSRJFFIBBKSBT-UHFFFAOYSA-N
XLogP7.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.68
LogP ≤ 57.22
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

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CID 14228745
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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-undecoxysilane?
The IUPAC name of dimethyl-non-5-yn-3-yloxy-undecoxysilane (CID 91741052) is dimethyl-non-5-yn-3-yloxy-undecoxysilane.
What is the SMILES notation for dimethyl-non-5-yn-3-yloxy-undecoxysilane?
The canonical SMILES for dimethyl-non-5-yn-3-yloxy-undecoxysilane is CCCC#CCC(CC)O[Si](C)(C)OCCCCCCCCCCC.
What is the InChIKey of dimethyl-non-5-yn-3-yloxy-undecoxysilane?
The InChIKey is QGSRJFFIBBKSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O2Si/c1-6-9-11-13-14-15-16-17-19-21-23-25(4,5)24-22(8-3)20-18-12-10-7-2/h22H,6-11,13-17,19-21H2,1-5H3.
What are the key properties of dimethyl-non-5-yn-3-yloxy-undecoxysilane?
dimethyl-non-5-yn-3-yloxy-undecoxysilane has a molecular weight of 368.68 g/mol, XLogP of 7.22, 16 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-undecoxysilane is sourced from PubChem (CID 91741052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).