1,1-dimethyl-1-silacycloundeca-3,9-diyne

C12H18Si — CID 15436146

IUPAC1,1-dimethyl-1-silacycloundeca-3,9-diyne
SMILESC[Si]1(C)CC#CCCCCC#CC1
InChIInChI=1S/C12H18Si/c1-13(2)11-9-7-5-3-4-6-8-10-12-13/h3-6,11-12H2,1-2H3
InChIKeyIJXNCBZUMGFKIJ-UHFFFAOYSA-N
MW190.36 g/mol
LogP3.28
Rot. Bonds

About 1,1-dimethyl-1-silacycloundeca-3,9-diyne

1,1-dimethyl-1-silacycloundeca-3,9-diyne (PubChem CID 15436146) has the molecular formula C12H18Si and a molecular weight of 190.36 g/mol. Its IUPAC name is 1,1-dimethyl-1-silacycloundeca-3,9-diyne.

Molecular Properties

Compound Name1,1-dimethyl-1-silacycloundeca-3,9-diyne
PubChem CID15436146
Molecular FormulaC12H18Si
Molecular Weight190.36 g/mol
Exact Mass190.12
IUPAC Name1,1-dimethyl-1-silacycloundeca-3,9-diyne
SMILESC[Si]1(C)CC#CCCCCC#CC1
InChIInChI=1S/C12H18Si/c1-13(2)11-9-7-5-3-4-6-8-10-12-13/h3-6,11-12H2,1-2H3
InChIKeyIJXNCBZUMGFKIJ-UHFFFAOYSA-N
XLogP3.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.36
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

1-(Trimethylsilyl)-1-hexyne
CID 586959
1-(Trimethylsilyl)-1-pentyne
CID 2760860
1-(Triisopropylsilyl)-1-propyne
CID 4074566
Hexyl(trimethyl)silane
CID 269922
Dihexylsilane
CID 6330317
Silane, 1,5-hexadiyne-1,6-diylbis[trimethyl-
CID 10867902
Silane, triethylhexyl-
CID 11117078
Trimethyl-octa-1,7-diynyl-silane
CID 11275361
Silane, 1,3-decadiynyltrimethyl-
CID 605581
Silane, 1,6-heptadiyne-1,7-diylbis[trimethyl-
CID 553168
Silane, 1,7-octadiyne-1,8-diylbis[trimethyl-
CID 553226
Hepta-1,3-diynyl(trimethyl)silane
CID 591103

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-1-silacycloundeca-3,9-diyne?
The IUPAC name of 1,1-dimethyl-1-silacycloundeca-3,9-diyne (CID 15436146) is 1,1-dimethyl-1-silacycloundeca-3,9-diyne.
What is the SMILES notation for 1,1-dimethyl-1-silacycloundeca-3,9-diyne?
The canonical SMILES for 1,1-dimethyl-1-silacycloundeca-3,9-diyne is C[Si]1(C)CC#CCCCCC#CC1.
What is the InChIKey of 1,1-dimethyl-1-silacycloundeca-3,9-diyne?
The InChIKey is IJXNCBZUMGFKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Si/c1-13(2)11-9-7-5-3-4-6-8-10-12-13/h3-6,11-12H2,1-2H3.
What are the key properties of 1,1-dimethyl-1-silacycloundeca-3,9-diyne?
1,1-dimethyl-1-silacycloundeca-3,9-diyne has a molecular weight of 190.36 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-1-silacycloundeca-3,9-diyne is sourced from PubChem (CID 15436146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).