tri(propan-2-yl)-[12-tri(propan-2-yl)silyldodeca-1,3,5,7,9,11-hexaynyl]silane

C30H42Si2 — CID 71361261

IUPACtri(propan-2-yl)-[12-tri(propan-2-yl)silyldodeca-1,3,5,7,9,11-hexaynyl]silane
SMILESCC(C)[Si](C#CC#CC#CC#CC#CC#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C30H42Si2/c1-25(2)31(26(3)4,27(5)6)23-21-19-17-15-13-14-16-18-20-22-24-32(28(7)8,29(9)10)30(11)12/h25-30H,1-12H3
InChIKeyHSJHCMVTAHRSBF-UHFFFAOYSA-N
MW458.84 g/mol
LogP7.44
Rot. Bonds6

About tri(propan-2-yl)-[12-tri(propan-2-yl)silyldodeca-1,3,5,7,9,11-hexaynyl]silane

tri(propan-2-yl)-[12-tri(propan-2-yl)silyldodeca-1,3,5,7,9,11-hexaynyl]silane (PubChem CID 71361261) has the molecular formula C30H42Si2 and a molecular weight of 458.84 g/mol. Its IUPAC name is tri(propan-2-yl)-[12-tri(propan-2-yl)silyldodeca-1,3,5,7,9,11-hexaynyl]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[12-tri(propan-2-yl)silyldodeca-1,3,5,7,9,11-hexaynyl]silane
PubChem CID71361261
Molecular FormulaC30H42Si2
Molecular Weight458.84 g/mol
Exact Mass458.28
IUPAC Nametri(propan-2-yl)-[12-tri(propan-2-yl)silyldodeca-1,3,5,7,9,11-hexaynyl]silane
SMILESCC(C)[Si](C#CC#CC#CC#CC#CC#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C30H42Si2/c1-25(2)31(26(3)4,27(5)6)23-21-19-17-15-13-14-16-18-20-22-24-32(28(7)8,29(9)10)30(11)12/h25-30H,1-12H3
InChIKeyHSJHCMVTAHRSBF-UHFFFAOYSA-N
XLogP7.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.84
LogP ≤ 57.44
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 tri(propan-2-yl)-[12-tri(propan-2-yl)silyldodeca-1,3,5,7,9,11-hexaynyl]silane?
The IUPAC name of tri(propan-2-yl)-[12-tri(propan-2-yl)silyldodeca-1,3,5,7,9,11-hexaynyl]silane (CID 71361261) is tri(propan-2-yl)-[12-tri(propan-2-yl)silyldodeca-1,3,5,7,9,11-hexaynyl]silane.
What is the SMILES notation for tri(propan-2-yl)-[12-tri(propan-2-yl)silyldodeca-1,3,5,7,9,11-hexaynyl]silane?
The canonical SMILES for tri(propan-2-yl)-[12-tri(propan-2-yl)silyldodeca-1,3,5,7,9,11-hexaynyl]silane is CC(C)[Si](C#CC#CC#CC#CC#CC#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[12-tri(propan-2-yl)silyldodeca-1,3,5,7,9,11-hexaynyl]silane?
The InChIKey is HSJHCMVTAHRSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42Si2/c1-25(2)31(26(3)4,27(5)6)23-21-19-17-15-13-14-16-18-20-22-24-32(28(7)8,29(9)10)30(11)12/h25-30H,1-12H3.
What are the key properties of tri(propan-2-yl)-[12-tri(propan-2-yl)silyldodeca-1,3,5,7,9,11-hexaynyl]silane?
tri(propan-2-yl)-[12-tri(propan-2-yl)silyldodeca-1,3,5,7,9,11-hexaynyl]silane has a molecular weight of 458.84 g/mol, XLogP of 7.44, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[12-tri(propan-2-yl)silyldodeca-1,3,5,7,9,11-hexaynyl]silane is sourced from PubChem (CID 71361261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).