[3,3-di(cyclopenta-1,3-dien-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane

C27H48O2Si2 — CID 18622663

IUPAC[3,3-di(cyclopenta-1,3-dien-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane
SMILESCC[Si](CC)(CC)OCCC(CCO[Si](CC)(CC)CC)(C1=CC=CC1)C1=CC=CC1
InChIInChI=1S/C27H48O2Si2/c1-7-30(8-2,9-3)28-23-21-27(25-17-13-14-18-25,26-19-15-16-20-26)22-24-29-31(10-4,11-5)12-6/h13-17,19H,7-12,18,20-24H2,1-6H3
InChIKeyOZKPCEPNEQGNSU-UHFFFAOYSA-N
MW460.85 g/mol
LogP8.57
Rot. Bonds16

About [3,3-di(cyclopenta-1,3-dien-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane

[3,3-di(cyclopenta-1,3-dien-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane (PubChem CID 18622663) has the molecular formula C27H48O2Si2 and a molecular weight of 460.85 g/mol. Its IUPAC name is [3,3-di(cyclopenta-1,3-dien-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane.

Molecular Properties

Compound Name[3,3-di(cyclopenta-1,3-dien-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane
PubChem CID18622663
Molecular FormulaC27H48O2Si2
Molecular Weight460.85 g/mol
Exact Mass460.32
IUPAC Name[3,3-di(cyclopenta-1,3-dien-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane
SMILESCC[Si](CC)(CC)OCCC(CCO[Si](CC)(CC)CC)(C1=CC=CC1)C1=CC=CC1
InChIInChI=1S/C27H48O2Si2/c1-7-30(8-2,9-3)28-23-21-27(25-17-13-14-18-25,26-19-15-16-20-26)22-24-29-31(10-4,11-5)12-6/h13-17,19H,7-12,18,20-24H2,1-6H3
InChIKeyOZKPCEPNEQGNSU-UHFFFAOYSA-N
XLogP8.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.85
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [3,3-di(cyclopenta-1,3-dien-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane?
The IUPAC name of [3,3-di(cyclopenta-1,3-dien-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane (CID 18622663) is [3,3-di(cyclopenta-1,3-dien-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane.
What is the SMILES notation for [3,3-di(cyclopenta-1,3-dien-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane?
The canonical SMILES for [3,3-di(cyclopenta-1,3-dien-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane is CC[Si](CC)(CC)OCCC(CCO[Si](CC)(CC)CC)(C1=CC=CC1)C1=CC=CC1.
What is the InChIKey of [3,3-di(cyclopenta-1,3-dien-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane?
The InChIKey is OZKPCEPNEQGNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48O2Si2/c1-7-30(8-2,9-3)28-23-21-27(25-17-13-14-18-25,26-19-15-16-20-26)22-24-29-31(10-4,11-5)12-6/h13-17,19H,7-12,18,20-24H2,1-6H3.
What are the key properties of [3,3-di(cyclopenta-1,3-dien-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane?
[3,3-di(cyclopenta-1,3-dien-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane has a molecular weight of 460.85 g/mol, XLogP of 8.57, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-di(cyclopenta-1,3-dien-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane is sourced from PubChem (CID 18622663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).