diethynyl-di(tridecyl)silane

C30H56Si — CID 139653435

IUPACdiethynyl-di(tridecyl)silane
SMILESC#C[Si](C#C)(CCCCCCCCCCCCC)CCCCCCCCCCCCC
InChIInChI=1S/C30H56Si/c1-5-9-11-13-15-17-19-21-23-25-27-29-31(7-3,8-4)30-28-26-24-22-20-18-16-14-12-10-6-2/h3-4H,5-6,9-30H2,1-2H3
InChIKeyISOQKYJVLNOWKC-UHFFFAOYSA-N
MW444.86 g/mol
LogP10.40
Rot. Bonds24

About diethynyl-di(tridecyl)silane

diethynyl-di(tridecyl)silane (PubChem CID 139653435) has the molecular formula C30H56Si and a molecular weight of 444.86 g/mol. Its IUPAC name is diethynyl-di(tridecyl)silane.

Molecular Properties

Compound Namediethynyl-di(tridecyl)silane
PubChem CID139653435
Molecular FormulaC30H56Si
Molecular Weight444.86 g/mol
Exact Mass444.42
IUPAC Namediethynyl-di(tridecyl)silane
SMILESC#C[Si](C#C)(CCCCCCCCCCCCC)CCCCCCCCCCCCC
InChIInChI=1S/C30H56Si/c1-5-9-11-13-15-17-19-21-23-25-27-29-31(7-3,8-4)30-28-26-24-22-20-18-16-14-12-10-6-2/h3-4H,5-6,9-30H2,1-2H3
InChIKeyISOQKYJVLNOWKC-UHFFFAOYSA-N
XLogP10.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.86
LogP ≤ 510.40
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

triethynyl(heptyl)silane
CID 139653432
diethynyl(dipropyl)silane
CID 19787565
oct-1-yne
CID 19597608
CID 172706336
CID 172706336
acetylene;heptane;hexane
CID 173326274
butyl-dihexyl-octylsilane
CID 168803297
decyl-hexadecyl-methyl-octylsilane
CID 14474508
henoctacontane
CID 22086342
triacontane
CID 12535
dictane
CID 19848341
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782

Frequently Asked Questions

What is the IUPAC name of diethynyl-di(tridecyl)silane?
The IUPAC name of diethynyl-di(tridecyl)silane (CID 139653435) is diethynyl-di(tridecyl)silane.
What is the SMILES notation for diethynyl-di(tridecyl)silane?
The canonical SMILES for diethynyl-di(tridecyl)silane is C#C[Si](C#C)(CCCCCCCCCCCCC)CCCCCCCCCCCCC.
What is the InChIKey of diethynyl-di(tridecyl)silane?
The InChIKey is ISOQKYJVLNOWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H56Si/c1-5-9-11-13-15-17-19-21-23-25-27-29-31(7-3,8-4)30-28-26-24-22-20-18-16-14-12-10-6-2/h3-4H,5-6,9-30H2,1-2H3.
What are the key properties of diethynyl-di(tridecyl)silane?
diethynyl-di(tridecyl)silane has a molecular weight of 444.86 g/mol, XLogP of 10.40, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethynyl-di(tridecyl)silane is sourced from PubChem (CID 139653435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).