di(cyclopenta-1,4-dien-1-yl)-[4-[di(cyclopenta-1,4-dien-1-yl)-methylsilyl]butyl]-methylsilane

C26H34Si2 — CID 101233389

IUPACdi(cyclopenta-1,4-dien-1-yl)-[4-[di(cyclopenta-1,4-dien-1-yl)-methylsilyl]butyl]-methylsilane
SMILESC[Si](CCCC[Si](C)(C1=CCC=C1)C1=CCC=C1)(C1=CCC=C1)C1=CCC=C1
InChIInChI=1S/C26H34Si2/c1-27(23-13-3-4-14-23,24-15-5-6-16-24)21-11-12-22-28(2,25-17-7-8-18-25)26-19-9-10-20-26/h3,5,7,9,13-20H,4,6,8,10-12,21-22H2,1-2H3
InChIKeyBXZMSXAXLJSKPM-UHFFFAOYSA-N
MW402.73 g/mol
LogP7.63
Rot. Bonds9

About di(cyclopenta-1,4-dien-1-yl)-[4-[di(cyclopenta-1,4-dien-1-yl)-methylsilyl]butyl]-methylsilane

di(cyclopenta-1,4-dien-1-yl)-[4-[di(cyclopenta-1,4-dien-1-yl)-methylsilyl]butyl]-methylsilane (PubChem CID 101233389) has the molecular formula C26H34Si2 and a molecular weight of 402.73 g/mol. Its IUPAC name is di(cyclopenta-1,4-dien-1-yl)-[4-[di(cyclopenta-1,4-dien-1-yl)-methylsilyl]butyl]-methylsilane.

Molecular Properties

Compound Namedi(cyclopenta-1,4-dien-1-yl)-[4-[di(cyclopenta-1,4-dien-1-yl)-methylsilyl]butyl]-methylsilane
PubChem CID101233389
Molecular FormulaC26H34Si2
Molecular Weight402.73 g/mol
Exact Mass402.22
IUPAC Namedi(cyclopenta-1,4-dien-1-yl)-[4-[di(cyclopenta-1,4-dien-1-yl)-methylsilyl]butyl]-methylsilane
SMILESC[Si](CCCC[Si](C)(C1=CCC=C1)C1=CCC=C1)(C1=CCC=C1)C1=CCC=C1
InChIInChI=1S/C26H34Si2/c1-27(23-13-3-4-14-23,24-15-5-6-16-24)21-11-12-22-28(2,25-17-7-8-18-25)26-19-9-10-20-26/h3,5,7,9,13-20H,4,6,8,10-12,21-22H2,1-2H3
InChIKeyBXZMSXAXLJSKPM-UHFFFAOYSA-N
XLogP7.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.73
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of di(cyclopenta-1,4-dien-1-yl)-[4-[di(cyclopenta-1,4-dien-1-yl)-methylsilyl]butyl]-methylsilane?
The IUPAC name of di(cyclopenta-1,4-dien-1-yl)-[4-[di(cyclopenta-1,4-dien-1-yl)-methylsilyl]butyl]-methylsilane (CID 101233389) is di(cyclopenta-1,4-dien-1-yl)-[4-[di(cyclopenta-1,4-dien-1-yl)-methylsilyl]butyl]-methylsilane.
What is the SMILES notation for di(cyclopenta-1,4-dien-1-yl)-[4-[di(cyclopenta-1,4-dien-1-yl)-methylsilyl]butyl]-methylsilane?
The canonical SMILES for di(cyclopenta-1,4-dien-1-yl)-[4-[di(cyclopenta-1,4-dien-1-yl)-methylsilyl]butyl]-methylsilane is C[Si](CCCC[Si](C)(C1=CCC=C1)C1=CCC=C1)(C1=CCC=C1)C1=CCC=C1.
What is the InChIKey of di(cyclopenta-1,4-dien-1-yl)-[4-[di(cyclopenta-1,4-dien-1-yl)-methylsilyl]butyl]-methylsilane?
The InChIKey is BXZMSXAXLJSKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34Si2/c1-27(23-13-3-4-14-23,24-15-5-6-16-24)21-11-12-22-28(2,25-17-7-8-18-25)26-19-9-10-20-26/h3,5,7,9,13-20H,4,6,8,10-12,21-22H2,1-2H3.
What are the key properties of di(cyclopenta-1,4-dien-1-yl)-[4-[di(cyclopenta-1,4-dien-1-yl)-methylsilyl]butyl]-methylsilane?
di(cyclopenta-1,4-dien-1-yl)-[4-[di(cyclopenta-1,4-dien-1-yl)-methylsilyl]butyl]-methylsilane has a molecular weight of 402.73 g/mol, XLogP of 7.63, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for di(cyclopenta-1,4-dien-1-yl)-[4-[di(cyclopenta-1,4-dien-1-yl)-methylsilyl]butyl]-methylsilane is sourced from PubChem (CID 101233389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).