dibutyl-cyclopenta-1,3-dien-1-yl-[dibutyl(cyclopenta-1,3-dien-1-yl)silyl]oxysilane

C26H46OSi2 — CID 90312709

IUPACdibutyl-cyclopenta-1,3-dien-1-yl-[dibutyl(cyclopenta-1,3-dien-1-yl)silyl]oxysilane
SMILESCCCC[Si](CCCC)(O[Si](CCCC)(CCCC)C1=CC=CC1)C1=CC=CC1
InChIInChI=1S/C26H46OSi2/c1-5-9-21-28(22-10-6-2,25-17-13-14-18-25)27-29(23-11-7-3,24-12-8-4)26-19-15-16-20-26/h13-17,19H,5-12,18,20-24H2,1-4H3
InChIKeyYMWFMVPGUHTSPJ-UHFFFAOYSA-N
MW430.83 g/mol
LogP8.95
Rot. Bonds16

About dibutyl-cyclopenta-1,3-dien-1-yl-[dibutyl(cyclopenta-1,3-dien-1-yl)silyl]oxysilane

dibutyl-cyclopenta-1,3-dien-1-yl-[dibutyl(cyclopenta-1,3-dien-1-yl)silyl]oxysilane (PubChem CID 90312709) has the molecular formula C26H46OSi2 and a molecular weight of 430.83 g/mol. Its IUPAC name is dibutyl-cyclopenta-1,3-dien-1-yl-[dibutyl(cyclopenta-1,3-dien-1-yl)silyl]oxysilane.

Molecular Properties

Compound Namedibutyl-cyclopenta-1,3-dien-1-yl-[dibutyl(cyclopenta-1,3-dien-1-yl)silyl]oxysilane
PubChem CID90312709
Molecular FormulaC26H46OSi2
Molecular Weight430.83 g/mol
Exact Mass430.31
IUPAC Namedibutyl-cyclopenta-1,3-dien-1-yl-[dibutyl(cyclopenta-1,3-dien-1-yl)silyl]oxysilane
SMILESCCCC[Si](CCCC)(O[Si](CCCC)(CCCC)C1=CC=CC1)C1=CC=CC1
InChIInChI=1S/C26H46OSi2/c1-5-9-21-28(22-10-6-2,25-17-13-14-18-25)27-29(23-11-7-3,24-12-8-4)26-19-15-16-20-26/h13-17,19H,5-12,18,20-24H2,1-4H3
InChIKeyYMWFMVPGUHTSPJ-UHFFFAOYSA-N
XLogP8.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.83
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dibutyl-cyclopenta-1,3-dien-1-yl-[dibutyl(cyclopenta-1,3-dien-1-yl)silyl]oxysilane?
The IUPAC name of dibutyl-cyclopenta-1,3-dien-1-yl-[dibutyl(cyclopenta-1,3-dien-1-yl)silyl]oxysilane (CID 90312709) is dibutyl-cyclopenta-1,3-dien-1-yl-[dibutyl(cyclopenta-1,3-dien-1-yl)silyl]oxysilane.
What is the SMILES notation for dibutyl-cyclopenta-1,3-dien-1-yl-[dibutyl(cyclopenta-1,3-dien-1-yl)silyl]oxysilane?
The canonical SMILES for dibutyl-cyclopenta-1,3-dien-1-yl-[dibutyl(cyclopenta-1,3-dien-1-yl)silyl]oxysilane is CCCC[Si](CCCC)(O[Si](CCCC)(CCCC)C1=CC=CC1)C1=CC=CC1.
What is the InChIKey of dibutyl-cyclopenta-1,3-dien-1-yl-[dibutyl(cyclopenta-1,3-dien-1-yl)silyl]oxysilane?
The InChIKey is YMWFMVPGUHTSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46OSi2/c1-5-9-21-28(22-10-6-2,25-17-13-14-18-25)27-29(23-11-7-3,24-12-8-4)26-19-15-16-20-26/h13-17,19H,5-12,18,20-24H2,1-4H3.
What are the key properties of dibutyl-cyclopenta-1,3-dien-1-yl-[dibutyl(cyclopenta-1,3-dien-1-yl)silyl]oxysilane?
dibutyl-cyclopenta-1,3-dien-1-yl-[dibutyl(cyclopenta-1,3-dien-1-yl)silyl]oxysilane has a molecular weight of 430.83 g/mol, XLogP of 8.95, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-cyclopenta-1,3-dien-1-yl-[dibutyl(cyclopenta-1,3-dien-1-yl)silyl]oxysilane is sourced from PubChem (CID 90312709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).