1,1,2,2,5,5,6,6,9,9,10,10-dodecamethyl-1,2,5,6,9,10-hexasilacyclododeca-3,7,11-triyne

C18H36Si6 — CID 13168388

IUPAC1,1,2,2,5,5,6,6,9,9,10,10-dodecamethyl-1,2,5,6,9,10-hexasilacyclododeca-3,7,11-triyne
SMILESC[Si]1(C)C#C[Si](C)(C)[Si](C)(C)C#C[Si](C)(C)[Si](C)(C)C#C[Si]1(C)C
InChIInChI=1S/C18H36Si6/c1-19(2)13-14-21(5,6)23(9,10)17-18-24(11,12)22(7,8)16-15-20(19,3)4/h1-12H3
InChIKeyQDTVPSUSAHRZKV-UHFFFAOYSA-N
MW421.00 g/mol
LogP4.73
Rot. Bonds

About 1,1,2,2,5,5,6,6,9,9,10,10-dodecamethyl-1,2,5,6,9,10-hexasilacyclododeca-3,7,11-triyne

1,1,2,2,5,5,6,6,9,9,10,10-dodecamethyl-1,2,5,6,9,10-hexasilacyclododeca-3,7,11-triyne (PubChem CID 13168388) has the molecular formula C18H36Si6 and a molecular weight of 421.00 g/mol. Its IUPAC name is 1,1,2,2,5,5,6,6,9,9,10,10-dodecamethyl-1,2,5,6,9,10-hexasilacyclododeca-3,7,11-triyne.

Molecular Properties

Compound Name1,1,2,2,5,5,6,6,9,9,10,10-dodecamethyl-1,2,5,6,9,10-hexasilacyclododeca-3,7,11-triyne
PubChem CID13168388
Molecular FormulaC18H36Si6
Molecular Weight421.00 g/mol
Exact Mass420.14
IUPAC Name1,1,2,2,5,5,6,6,9,9,10,10-dodecamethyl-1,2,5,6,9,10-hexasilacyclododeca-3,7,11-triyne
SMILESC[Si]1(C)C#C[Si](C)(C)[Si](C)(C)C#C[Si](C)(C)[Si](C)(C)C#C[Si]1(C)C
InChIInChI=1S/C18H36Si6/c1-19(2)13-14-21(5,6)23(9,10)17-18-24(11,12)22(7,8)16-15-20(19,3)4/h1-12H3
InChIKeyQDTVPSUSAHRZKV-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.00
LogP ≤ 54.73
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'}

Analyze 1,1,2,2,5,5,6,6,9,9,10,10-dodecamethyl-1,2,5,6,9,10-hexasilacyclododeca-3,7,11-triyne with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,5,5,6,6,9,9,10,10-dodecamethyl-1,2,5,6,9,10-hexasilacyclododeca-3,7,11-triyne?
The IUPAC name of 1,1,2,2,5,5,6,6,9,9,10,10-dodecamethyl-1,2,5,6,9,10-hexasilacyclododeca-3,7,11-triyne (CID 13168388) is 1,1,2,2,5,5,6,6,9,9,10,10-dodecamethyl-1,2,5,6,9,10-hexasilacyclododeca-3,7,11-triyne.
What is the SMILES notation for 1,1,2,2,5,5,6,6,9,9,10,10-dodecamethyl-1,2,5,6,9,10-hexasilacyclododeca-3,7,11-triyne?
The canonical SMILES for 1,1,2,2,5,5,6,6,9,9,10,10-dodecamethyl-1,2,5,6,9,10-hexasilacyclododeca-3,7,11-triyne is C[Si]1(C)C#C[Si](C)(C)[Si](C)(C)C#C[Si](C)(C)[Si](C)(C)C#C[Si]1(C)C.
What is the InChIKey of 1,1,2,2,5,5,6,6,9,9,10,10-dodecamethyl-1,2,5,6,9,10-hexasilacyclododeca-3,7,11-triyne?
The InChIKey is QDTVPSUSAHRZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36Si6/c1-19(2)13-14-21(5,6)23(9,10)17-18-24(11,12)22(7,8)16-15-20(19,3)4/h1-12H3.
What are the key properties of 1,1,2,2,5,5,6,6,9,9,10,10-dodecamethyl-1,2,5,6,9,10-hexasilacyclododeca-3,7,11-triyne?
1,1,2,2,5,5,6,6,9,9,10,10-dodecamethyl-1,2,5,6,9,10-hexasilacyclododeca-3,7,11-triyne has a molecular weight of 421.00 g/mol, XLogP of 4.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,5,5,6,6,9,9,10,10-dodecamethyl-1,2,5,6,9,10-hexasilacyclododeca-3,7,11-triyne is sourced from PubChem (CID 13168388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).