1,1,2,2,5,5-hexamethyl-1,2,5-trisilacyclohepta-3,6-diyne

C10H18Si3 — CID 12957919

IUPAC1,1,2,2,5,5-hexamethyl-1,2,5-trisilacyclohepta-3,6-diyne
SMILESC[Si]1(C)C#C[Si](C)(C)[Si](C)(C)C#C1
InChIInChI=1S/C10H18Si3/c1-11(2)7-9-12(3,4)13(5,6)10-8-11/h1-6H3
InChIKeyLVTOUVXBEGAQPS-UHFFFAOYSA-N
MW222.51 g/mol
LogP2.37
Rot. Bonds

About 1,1,2,2,5,5-hexamethyl-1,2,5-trisilacyclohepta-3,6-diyne

1,1,2,2,5,5-hexamethyl-1,2,5-trisilacyclohepta-3,6-diyne (PubChem CID 12957919) has the molecular formula C10H18Si3 and a molecular weight of 222.51 g/mol. Its IUPAC name is 1,1,2,2,5,5-hexamethyl-1,2,5-trisilacyclohepta-3,6-diyne.

Molecular Properties

Compound Name1,1,2,2,5,5-hexamethyl-1,2,5-trisilacyclohepta-3,6-diyne
PubChem CID12957919
Molecular FormulaC10H18Si3
Molecular Weight222.51 g/mol
Exact Mass222.07
IUPAC Name1,1,2,2,5,5-hexamethyl-1,2,5-trisilacyclohepta-3,6-diyne
SMILESC[Si]1(C)C#C[Si](C)(C)[Si](C)(C)C#C1
InChIInChI=1S/C10H18Si3/c1-11(2)7-9-12(3,4)13(5,6)10-8-11/h1-6H3
InChIKeyLVTOUVXBEGAQPS-UHFFFAOYSA-N
XLogP2.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.51
LogP ≤ 52.37
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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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,5,5-hexamethyl-1,2,5-trisilacyclohepta-3,6-diyne?
The IUPAC name of 1,1,2,2,5,5-hexamethyl-1,2,5-trisilacyclohepta-3,6-diyne (CID 12957919) is 1,1,2,2,5,5-hexamethyl-1,2,5-trisilacyclohepta-3,6-diyne.
What is the SMILES notation for 1,1,2,2,5,5-hexamethyl-1,2,5-trisilacyclohepta-3,6-diyne?
The canonical SMILES for 1,1,2,2,5,5-hexamethyl-1,2,5-trisilacyclohepta-3,6-diyne is C[Si]1(C)C#C[Si](C)(C)[Si](C)(C)C#C1.
What is the InChIKey of 1,1,2,2,5,5-hexamethyl-1,2,5-trisilacyclohepta-3,6-diyne?
The InChIKey is LVTOUVXBEGAQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18Si3/c1-11(2)7-9-12(3,4)13(5,6)10-8-11/h1-6H3.
What are the key properties of 1,1,2,2,5,5-hexamethyl-1,2,5-trisilacyclohepta-3,6-diyne?
1,1,2,2,5,5-hexamethyl-1,2,5-trisilacyclohepta-3,6-diyne has a molecular weight of 222.51 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,5,5-hexamethyl-1,2,5-trisilacyclohepta-3,6-diyne is sourced from PubChem (CID 12957919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).