bis(3-cyclohexyl-1-methylcyclopenta-2,4-dien-1-yl)-dimethylsilane

C26H40Si — CID 139816052

IUPACbis(3-cyclohexyl-1-methylcyclopenta-2,4-dien-1-yl)-dimethylsilane
SMILESCC1([Si](C)(C)C2(C)C=CC(C3CCCCC3)=C2)C=CC(C2CCCCC2)=C1
InChIInChI=1S/C26H40Si/c1-25(17-15-23(19-25)21-11-7-5-8-12-21)27(3,4)26(2)18-16-24(20-26)22-13-9-6-10-14-22/h15-22H,5-14H2,1-4H3
InChIKeySCNBOSOKDJLVKB-UHFFFAOYSA-N
MW380.69 g/mol
LogP8.37
Rot. Bonds4

About bis(3-cyclohexyl-1-methylcyclopenta-2,4-dien-1-yl)-dimethylsilane

bis(3-cyclohexyl-1-methylcyclopenta-2,4-dien-1-yl)-dimethylsilane (PubChem CID 139816052) has the molecular formula C26H40Si and a molecular weight of 380.69 g/mol. Its IUPAC name is bis(3-cyclohexyl-1-methylcyclopenta-2,4-dien-1-yl)-dimethylsilane.

Molecular Properties

Compound Namebis(3-cyclohexyl-1-methylcyclopenta-2,4-dien-1-yl)-dimethylsilane
PubChem CID139816052
Molecular FormulaC26H40Si
Molecular Weight380.69 g/mol
Exact Mass380.29
IUPAC Namebis(3-cyclohexyl-1-methylcyclopenta-2,4-dien-1-yl)-dimethylsilane
SMILESCC1([Si](C)(C)C2(C)C=CC(C3CCCCC3)=C2)C=CC(C2CCCCC2)=C1
InChIInChI=1S/C26H40Si/c1-25(17-15-23(19-25)21-11-7-5-8-12-21)27(3,4)26(2)18-16-24(20-26)22-13-9-6-10-14-22/h15-22H,5-14H2,1-4H3
InChIKeySCNBOSOKDJLVKB-UHFFFAOYSA-N
XLogP8.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.69
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze bis(3-cyclohexyl-1-methylcyclopenta-2,4-dien-1-yl)-dimethylsilane 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 bis(3-cyclohexyl-1-methylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
The IUPAC name of bis(3-cyclohexyl-1-methylcyclopenta-2,4-dien-1-yl)-dimethylsilane (CID 139816052) is bis(3-cyclohexyl-1-methylcyclopenta-2,4-dien-1-yl)-dimethylsilane.
What is the SMILES notation for bis(3-cyclohexyl-1-methylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
The canonical SMILES for bis(3-cyclohexyl-1-methylcyclopenta-2,4-dien-1-yl)-dimethylsilane is CC1([Si](C)(C)C2(C)C=CC(C3CCCCC3)=C2)C=CC(C2CCCCC2)=C1.
What is the InChIKey of bis(3-cyclohexyl-1-methylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
The InChIKey is SCNBOSOKDJLVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40Si/c1-25(17-15-23(19-25)21-11-7-5-8-12-21)27(3,4)26(2)18-16-24(20-26)22-13-9-6-10-14-22/h15-22H,5-14H2,1-4H3.
What are the key properties of bis(3-cyclohexyl-1-methylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
bis(3-cyclohexyl-1-methylcyclopenta-2,4-dien-1-yl)-dimethylsilane has a molecular weight of 380.69 g/mol, XLogP of 8.37, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-cyclohexyl-1-methylcyclopenta-2,4-dien-1-yl)-dimethylsilane is sourced from PubChem (CID 139816052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).