[2,2-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane

C35H60O2Si2 — CID 18622640

IUPAC[2,2-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane
SMILESCC[Si](CC)(CC)OCCCC(CO[Si](CC)(CC)CC)(C1CCC2C=CC=CC21)C1CCC2C=CC=CC21
InChIInChI=1S/C35H60O2Si2/c1-7-38(8-2,9-3)36-27-17-26-35(28-37-39(10-4,11-5)12-6,33-24-22-29-18-13-15-20-31(29)33)34-25-23-30-19-14-16-21-32(30)34/h13-16,18-21,29-34H,7-12,17,22-28H2,1-6H3
InChIKeyPSKOKLASNFXUBB-UHFFFAOYSA-N
MW569.04 g/mol
LogP10.33
Rot. Bonds16

About [2,2-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane

[2,2-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane (PubChem CID 18622640) has the molecular formula C35H60O2Si2 and a molecular weight of 569.04 g/mol. Its IUPAC name is [2,2-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane.

Molecular Properties

Compound Name[2,2-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane
PubChem CID18622640
Molecular FormulaC35H60O2Si2
Molecular Weight569.04 g/mol
Exact Mass568.41
IUPAC Name[2,2-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane
SMILESCC[Si](CC)(CC)OCCCC(CO[Si](CC)(CC)CC)(C1CCC2C=CC=CC21)C1CCC2C=CC=CC21
InChIInChI=1S/C35H60O2Si2/c1-7-38(8-2,9-3)36-27-17-26-35(28-37-39(10-4,11-5)12-6,33-24-22-29-18-13-15-20-31(29)33)34-25-23-30-19-14-16-21-32(30)34/h13-16,18-21,29-34H,7-12,17,22-28H2,1-6H3
InChIKeyPSKOKLASNFXUBB-UHFFFAOYSA-N
XLogP10.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.04
LogP ≤ 510.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [2,2-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane?
The IUPAC name of [2,2-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane (CID 18622640) is [2,2-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane.
What is the SMILES notation for [2,2-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane?
The canonical SMILES for [2,2-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane is CC[Si](CC)(CC)OCCCC(CO[Si](CC)(CC)CC)(C1CCC2C=CC=CC21)C1CCC2C=CC=CC21.
What is the InChIKey of [2,2-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane?
The InChIKey is PSKOKLASNFXUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H60O2Si2/c1-7-38(8-2,9-3)36-27-17-26-35(28-37-39(10-4,11-5)12-6,33-24-22-29-18-13-15-20-31(29)33)34-25-23-30-19-14-16-21-32(30)34/h13-16,18-21,29-34H,7-12,17,22-28H2,1-6H3.
What are the key properties of [2,2-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane?
[2,2-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane has a molecular weight of 569.04 g/mol, XLogP of 10.33, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane is sourced from PubChem (CID 18622640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).