chloro-dimethyl-(13-trimethylsilyltridec-12-ynyl)silane

C18H37ClSi2 — CID 14618616

IUPACchloro-dimethyl-(13-trimethylsilyltridec-12-ynyl)silane
SMILESC[Si](C)(C)C#CCCCCCCCCCCC[Si](C)(C)Cl
InChIInChI=1S/C18H37ClSi2/c1-20(2,3)17-15-13-11-9-7-6-8-10-12-14-16-18-21(4,5)19/h6-14,16,18H2,1-5H3
InChIKeyZIYYIDHBVLEOKK-UHFFFAOYSA-N
MW345.12 g/mol
LogP7.21
Rot. Bonds11

About chloro-dimethyl-(13-trimethylsilyltridec-12-ynyl)silane

chloro-dimethyl-(13-trimethylsilyltridec-12-ynyl)silane (PubChem CID 14618616) has the molecular formula C18H37ClSi2 and a molecular weight of 345.12 g/mol. Its IUPAC name is chloro-dimethyl-(13-trimethylsilyltridec-12-ynyl)silane.

Molecular Properties

Compound Namechloro-dimethyl-(13-trimethylsilyltridec-12-ynyl)silane
PubChem CID14618616
Molecular FormulaC18H37ClSi2
Molecular Weight345.12 g/mol
Exact Mass344.21
IUPAC Namechloro-dimethyl-(13-trimethylsilyltridec-12-ynyl)silane
SMILESC[Si](C)(C)C#CCCCCCCCCCCC[Si](C)(C)Cl
InChIInChI=1S/C18H37ClSi2/c1-20(2,3)17-15-13-11-9-7-6-8-10-12-14-16-18-21(4,5)19/h6-14,16,18H2,1-5H3
InChIKeyZIYYIDHBVLEOKK-UHFFFAOYSA-N
XLogP7.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.12
LogP ≤ 57.21
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': 'silicon_halogen', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloro-dimethyl-(13-trimethylsilyltridec-12-ynyl)silane?
The IUPAC name of chloro-dimethyl-(13-trimethylsilyltridec-12-ynyl)silane (CID 14618616) is chloro-dimethyl-(13-trimethylsilyltridec-12-ynyl)silane.
What is the SMILES notation for chloro-dimethyl-(13-trimethylsilyltridec-12-ynyl)silane?
The canonical SMILES for chloro-dimethyl-(13-trimethylsilyltridec-12-ynyl)silane is C[Si](C)(C)C#CCCCCCCCCCCC[Si](C)(C)Cl.
What is the InChIKey of chloro-dimethyl-(13-trimethylsilyltridec-12-ynyl)silane?
The InChIKey is ZIYYIDHBVLEOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37ClSi2/c1-20(2,3)17-15-13-11-9-7-6-8-10-12-14-16-18-21(4,5)19/h6-14,16,18H2,1-5H3.
What are the key properties of chloro-dimethyl-(13-trimethylsilyltridec-12-ynyl)silane?
chloro-dimethyl-(13-trimethylsilyltridec-12-ynyl)silane has a molecular weight of 345.12 g/mol, XLogP of 7.21, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-dimethyl-(13-trimethylsilyltridec-12-ynyl)silane is sourced from PubChem (CID 14618616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).