[3,3-bis(1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane

C35H52O2Si2 — CID 18622603

IUPAC[3,3-bis(1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane
SMILESCC[Si](CC)(CC)OCCC(CCO[Si](CC)(CC)CC)(C1C=Cc2ccccc21)C1C=Cc2ccccc21
InChIInChI=1S/C35H52O2Si2/c1-7-38(8-2,9-3)36-27-25-35(26-28-37-39(10-4,11-5)12-6,33-23-21-29-17-13-15-19-31(29)33)34-24-22-30-18-14-16-20-32(30)34/h13-24,33-34H,7-12,25-28H2,1-6H3
InChIKeySATVCNOOXJSPRR-UHFFFAOYSA-N
MW560.97 g/mol
LogP10.42
Rot. Bonds16

About [3,3-bis(1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane

[3,3-bis(1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane (PubChem CID 18622603) has the molecular formula C35H52O2Si2 and a molecular weight of 560.97 g/mol. Its IUPAC name is [3,3-bis(1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane.

Molecular Properties

Compound Name[3,3-bis(1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane
PubChem CID18622603
Molecular FormulaC35H52O2Si2
Molecular Weight560.97 g/mol
Exact Mass560.35
IUPAC Name[3,3-bis(1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane
SMILESCC[Si](CC)(CC)OCCC(CCO[Si](CC)(CC)CC)(C1C=Cc2ccccc21)C1C=Cc2ccccc21
InChIInChI=1S/C35H52O2Si2/c1-7-38(8-2,9-3)36-27-25-35(26-28-37-39(10-4,11-5)12-6,33-23-21-29-17-13-15-19-31(29)33)34-24-22-30-18-14-16-20-32(30)34/h13-24,33-34H,7-12,25-28H2,1-6H3
InChIKeySATVCNOOXJSPRR-UHFFFAOYSA-N
XLogP10.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.97
LogP ≤ 510.42
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-bis(1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane?
The IUPAC name of [3,3-bis(1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane (CID 18622603) is [3,3-bis(1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane.
What is the SMILES notation for [3,3-bis(1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane?
The canonical SMILES for [3,3-bis(1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane is CC[Si](CC)(CC)OCCC(CCO[Si](CC)(CC)CC)(C1C=Cc2ccccc21)C1C=Cc2ccccc21.
What is the InChIKey of [3,3-bis(1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane?
The InChIKey is SATVCNOOXJSPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H52O2Si2/c1-7-38(8-2,9-3)36-27-25-35(26-28-37-39(10-4,11-5)12-6,33-23-21-29-17-13-15-19-31(29)33)34-24-22-30-18-14-16-20-32(30)34/h13-24,33-34H,7-12,25-28H2,1-6H3.
What are the key properties of [3,3-bis(1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane?
[3,3-bis(1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane has a molecular weight of 560.97 g/mol, XLogP of 10.42, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-bis(1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane is sourced from PubChem (CID 18622603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).