trimethyl(octadeca-1,3,5-triynyl)silane

C21H34Si — CID 73427540

IUPACtrimethyl(octadeca-1,3,5-triynyl)silane
SMILESCCCCCCCCCCCCC#CC#CC#C[Si](C)(C)C
InChIInChI=1S/C21H34Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4/h5-15H2,1-4H3
InChIKeyHKQWAHRPULKTCC-UHFFFAOYSA-N
MW314.59 g/mol
LogP6.18
Rot. Bonds10

About trimethyl(octadeca-1,3,5-triynyl)silane

trimethyl(octadeca-1,3,5-triynyl)silane (PubChem CID 73427540) has the molecular formula C21H34Si and a molecular weight of 314.59 g/mol. Its IUPAC name is trimethyl(octadeca-1,3,5-triynyl)silane.

Molecular Properties

Compound Nametrimethyl(octadeca-1,3,5-triynyl)silane
PubChem CID73427540
Molecular FormulaC21H34Si
Molecular Weight314.59 g/mol
Exact Mass314.24
IUPAC Nametrimethyl(octadeca-1,3,5-triynyl)silane
SMILESCCCCCCCCCCCCC#CC#CC#C[Si](C)(C)C
InChIInChI=1S/C21H34Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4/h5-15H2,1-4H3
InChIKeyHKQWAHRPULKTCC-UHFFFAOYSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.59
LogP ≤ 56.18
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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Frequently Asked Questions

What is the IUPAC name of trimethyl(octadeca-1,3,5-triynyl)silane?
The IUPAC name of trimethyl(octadeca-1,3,5-triynyl)silane (CID 73427540) is trimethyl(octadeca-1,3,5-triynyl)silane.
What is the SMILES notation for trimethyl(octadeca-1,3,5-triynyl)silane?
The canonical SMILES for trimethyl(octadeca-1,3,5-triynyl)silane is CCCCCCCCCCCCC#CC#CC#C[Si](C)(C)C.
What is the InChIKey of trimethyl(octadeca-1,3,5-triynyl)silane?
The InChIKey is HKQWAHRPULKTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4/h5-15H2,1-4H3.
What are the key properties of trimethyl(octadeca-1,3,5-triynyl)silane?
trimethyl(octadeca-1,3,5-triynyl)silane has a molecular weight of 314.59 g/mol, XLogP of 6.18, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(octadeca-1,3,5-triynyl)silane is sourced from PubChem (CID 73427540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).