triethynyl(heptyl)silane

C13H18Si — CID 139653432

IUPACtriethynyl(heptyl)silane
SMILESC#C[Si](C#C)(C#C)CCCCCCC
InChIInChI=1S/C13H18Si/c1-5-9-10-11-12-13-14(6-2,7-3)8-4/h2-4H,5,9-13H2,1H3
InChIKeyNTMCYGUDRZYLFB-UHFFFAOYSA-N
MW202.37 g/mol
LogP2.92
Rot. Bonds6

About triethynyl(heptyl)silane

triethynyl(heptyl)silane (PubChem CID 139653432) has the molecular formula C13H18Si and a molecular weight of 202.37 g/mol. Its IUPAC name is triethynyl(heptyl)silane.

Molecular Properties

Compound Nametriethynyl(heptyl)silane
PubChem CID139653432
Molecular FormulaC13H18Si
Molecular Weight202.37 g/mol
Exact Mass202.12
IUPAC Nametriethynyl(heptyl)silane
SMILESC#C[Si](C#C)(C#C)CCCCCCC
InChIInChI=1S/C13H18Si/c1-5-9-10-11-12-13-14(6-2,7-3)8-4/h2-4H,5,9-13H2,1H3
InChIKeyNTMCYGUDRZYLFB-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

diethynyl-di(tridecyl)silane
CID 139653435
triethynyl(propyl)silane
CID 139653408
acetylene;heptane;hexane
CID 173326274
butyl-dihexyl-octylsilane
CID 168803297
decyl-hexadecyl-methyl-octylsilane
CID 14474508
henoctacontane
CID 22086342
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
triacontane
CID 12535
dictane
CID 19848341
CID 161246447
CID 161246447

Frequently Asked Questions

What is the IUPAC name of triethynyl(heptyl)silane?
The IUPAC name of triethynyl(heptyl)silane (CID 139653432) is triethynyl(heptyl)silane.
What is the SMILES notation for triethynyl(heptyl)silane?
The canonical SMILES for triethynyl(heptyl)silane is C#C[Si](C#C)(C#C)CCCCCCC.
What is the InChIKey of triethynyl(heptyl)silane?
The InChIKey is NTMCYGUDRZYLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Si/c1-5-9-10-11-12-13-14(6-2,7-3)8-4/h2-4H,5,9-13H2,1H3.
What are the key properties of triethynyl(heptyl)silane?
triethynyl(heptyl)silane has a molecular weight of 202.37 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethynyl(heptyl)silane is sourced from PubChem (CID 139653432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).