7,7-ditert-butyl-8-[2-(7,7-ditert-butyl-7-silabicyclo[4.2.0]oct-1(8)-en-8-yl)ethynyl]-7-silabicyclo[4.2.0]oct-1(8)-ene

C32H54Si2 — CID 15534917

IUPAC7,7-ditert-butyl-8-[2-(7,7-ditert-butyl-7-silabicyclo[4.2.0]oct-1(8)-en-8-yl)ethynyl]-7-silabicyclo[4.2.0]oct-1(8)-ene
SMILESCC(C)(C)[Si]1(C(C)(C)C)C(C#CC2=C3CCCCC3[Si]2(C(C)(C)C)C(C)(C)C)=C2CCCCC21
InChIInChI=1S/C32H54Si2/c1-29(2,3)33(30(4,5)6)25-19-15-13-17-23(25)27(33)21-22-28-24-18-14-16-20-26(24)34(28,31(7,8)9)32(10,11)12/h25-26H,13-20H2,1-12H3
InChIKeyHCGIQHABINEHSD-UHFFFAOYSA-N
MW494.96 g/mol
LogP10.68
Rot. Bonds

About 7,7-ditert-butyl-8-[2-(7,7-ditert-butyl-7-silabicyclo[4.2.0]oct-1(8)-en-8-yl)ethynyl]-7-silabicyclo[4.2.0]oct-1(8)-ene

7,7-ditert-butyl-8-[2-(7,7-ditert-butyl-7-silabicyclo[4.2.0]oct-1(8)-en-8-yl)ethynyl]-7-silabicyclo[4.2.0]oct-1(8)-ene (PubChem CID 15534917) has the molecular formula C32H54Si2 and a molecular weight of 494.96 g/mol. Its IUPAC name is 7,7-ditert-butyl-8-[2-(7,7-ditert-butyl-7-silabicyclo[4.2.0]oct-1(8)-en-8-yl)ethynyl]-7-silabicyclo[4.2.0]oct-1(8)-ene.

Molecular Properties

Compound Name7,7-ditert-butyl-8-[2-(7,7-ditert-butyl-7-silabicyclo[4.2.0]oct-1(8)-en-8-yl)ethynyl]-7-silabicyclo[4.2.0]oct-1(8)-ene
PubChem CID15534917
Molecular FormulaC32H54Si2
Molecular Weight494.96 g/mol
Exact Mass494.38
IUPAC Name7,7-ditert-butyl-8-[2-(7,7-ditert-butyl-7-silabicyclo[4.2.0]oct-1(8)-en-8-yl)ethynyl]-7-silabicyclo[4.2.0]oct-1(8)-ene
SMILESCC(C)(C)[Si]1(C(C)(C)C)C(C#CC2=C3CCCCC3[Si]2(C(C)(C)C)C(C)(C)C)=C2CCCCC21
InChIInChI=1S/C32H54Si2/c1-29(2,3)33(30(4,5)6)25-19-15-13-17-23(25)27(33)21-22-28-24-18-14-16-20-26(24)34(28,31(7,8)9)32(10,11)12/h25-26H,13-20H2,1-12H3
InChIKeyHCGIQHABINEHSD-UHFFFAOYSA-N
XLogP10.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.96
LogP ≤ 510.68
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 7,7-ditert-butyl-8-[2-(7,7-ditert-butyl-7-silabicyclo[4.2.0]oct-1(8)-en-8-yl)ethynyl]-7-silabicyclo[4.2.0]oct-1(8)-ene with MolForge

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

Launch Full Analysis

Related Compounds

[6,12-Di(cyclohexylidene)-16-methyl-3,9-di(propan-2-ylidene)-15-(2-trimethylsilylethynyl)heptadec-15-en-1,4,7,10,13-pentaynyl]-trimethylsilane
CID 134901393
[3,9-Di(cyclohexylidene)-6-propan-2-ylidene-11-trimethylsilylundeca-1,4,7,10-tetraynyl]-trimethylsilane
CID 135046217
[3,8-Di(cyclohexylidene)-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane
CID 101194213

Frequently Asked Questions

What is the IUPAC name of 7,7-ditert-butyl-8-[2-(7,7-ditert-butyl-7-silabicyclo[4.2.0]oct-1(8)-en-8-yl)ethynyl]-7-silabicyclo[4.2.0]oct-1(8)-ene?
The IUPAC name of 7,7-ditert-butyl-8-[2-(7,7-ditert-butyl-7-silabicyclo[4.2.0]oct-1(8)-en-8-yl)ethynyl]-7-silabicyclo[4.2.0]oct-1(8)-ene (CID 15534917) is 7,7-ditert-butyl-8-[2-(7,7-ditert-butyl-7-silabicyclo[4.2.0]oct-1(8)-en-8-yl)ethynyl]-7-silabicyclo[4.2.0]oct-1(8)-ene.
What is the SMILES notation for 7,7-ditert-butyl-8-[2-(7,7-ditert-butyl-7-silabicyclo[4.2.0]oct-1(8)-en-8-yl)ethynyl]-7-silabicyclo[4.2.0]oct-1(8)-ene?
The canonical SMILES for 7,7-ditert-butyl-8-[2-(7,7-ditert-butyl-7-silabicyclo[4.2.0]oct-1(8)-en-8-yl)ethynyl]-7-silabicyclo[4.2.0]oct-1(8)-ene is CC(C)(C)[Si]1(C(C)(C)C)C(C#CC2=C3CCCCC3[Si]2(C(C)(C)C)C(C)(C)C)=C2CCCCC21.
What is the InChIKey of 7,7-ditert-butyl-8-[2-(7,7-ditert-butyl-7-silabicyclo[4.2.0]oct-1(8)-en-8-yl)ethynyl]-7-silabicyclo[4.2.0]oct-1(8)-ene?
The InChIKey is HCGIQHABINEHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H54Si2/c1-29(2,3)33(30(4,5)6)25-19-15-13-17-23(25)27(33)21-22-28-24-18-14-16-20-26(24)34(28,31(7,8)9)32(10,11)12/h25-26H,13-20H2,1-12H3.
What are the key properties of 7,7-ditert-butyl-8-[2-(7,7-ditert-butyl-7-silabicyclo[4.2.0]oct-1(8)-en-8-yl)ethynyl]-7-silabicyclo[4.2.0]oct-1(8)-ene?
7,7-ditert-butyl-8-[2-(7,7-ditert-butyl-7-silabicyclo[4.2.0]oct-1(8)-en-8-yl)ethynyl]-7-silabicyclo[4.2.0]oct-1(8)-ene has a molecular weight of 494.96 g/mol, XLogP of 10.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-ditert-butyl-8-[2-(7,7-ditert-butyl-7-silabicyclo[4.2.0]oct-1(8)-en-8-yl)ethynyl]-7-silabicyclo[4.2.0]oct-1(8)-ene is sourced from PubChem (CID 15534917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).