[3,3-bis(1H-inden-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane

C29H40O2Si2 — CID 18622650

IUPAC[3,3-bis(1H-inden-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane
SMILESC[Si](C)(C)OCCC(CCO[Si](C)(C)C)(C1C=Cc2ccccc21)C1C=Cc2ccccc21
InChIInChI=1S/C29H40O2Si2/c1-32(2,3)30-21-19-29(20-22-31-33(4,5)6,27-17-15-23-11-7-9-13-25(23)27)28-18-16-24-12-8-10-14-26(24)28/h7-18,27-28H,19-22H2,1-6H3
InChIKeyNCRMSRHZTWJSGB-UHFFFAOYSA-N
MW476.81 g/mol
LogP8.08
Rot. Bonds10

About [3,3-bis(1H-inden-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane

[3,3-bis(1H-inden-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane (PubChem CID 18622650) has the molecular formula C29H40O2Si2 and a molecular weight of 476.81 g/mol. Its IUPAC name is [3,3-bis(1H-inden-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane.

Molecular Properties

Compound Name[3,3-bis(1H-inden-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane
PubChem CID18622650
Molecular FormulaC29H40O2Si2
Molecular Weight476.81 g/mol
Exact Mass476.26
IUPAC Name[3,3-bis(1H-inden-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane
SMILESC[Si](C)(C)OCCC(CCO[Si](C)(C)C)(C1C=Cc2ccccc21)C1C=Cc2ccccc21
InChIInChI=1S/C29H40O2Si2/c1-32(2,3)30-21-19-29(20-22-31-33(4,5)6,27-17-15-23-11-7-9-13-25(23)27)28-18-16-24-12-8-10-14-26(24)28/h7-18,27-28H,19-22H2,1-6H3
InChIKeyNCRMSRHZTWJSGB-UHFFFAOYSA-N
XLogP8.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.81
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-Fluoro-9-(trimethylsilyloxymethyl)fluoren-9-yl]methoxy-trimethylsilane
CID 22639102
Triethyl-[[2-fluoro-9-(triethylsilyloxymethyl)fluoren-9-yl]methoxy]silane
CID 22639117
[9-[[Dimethyl(propyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-propylsilane
CID 22639120
Ethyl-[[9-[[ethyl(dimethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy]-dimethylsilane
CID 22639121
Tert-butyl-[[9-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy]-dimethylsilane
CID 22639132
Butyl-[[9-[[butyl(dimethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy]-dimethylsilane
CID 69305459
Tert-butyl-[3-[5-fluoro-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]propoxy]-dimethylsilane
CID 69539183
[(2S,3S,4S)-4-benzyl-3-[(4-fluorophenyl)methyl]-5-trimethylsilyloxypentan-2-yl]oxy-trimethylsilane
CID 140827398
2,2-Dimethylpropyl-[3-[5-fluoro-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]propoxy]-dimethylsilane
CID 141125794
[(3S,4S)-4-benzyl-3-[(4-fluorophenyl)methyl]-5-trimethylsilyloxypentan-2-yl]oxy-trimethylsilane
CID 173742630
[4-Benzyl-3-[(4-fluorophenyl)methyl]-5-trimethylsilyloxypentan-2-yl]oxy-trimethylsilane
CID 175359799
Diphenyldiethylhexyloxydiethoxydisiloxane
CID 129817422

Frequently Asked Questions

What is the IUPAC name of [3,3-bis(1H-inden-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane?
The IUPAC name of [3,3-bis(1H-inden-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane (CID 18622650) is [3,3-bis(1H-inden-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane.
What is the SMILES notation for [3,3-bis(1H-inden-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane?
The canonical SMILES for [3,3-bis(1H-inden-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane is C[Si](C)(C)OCCC(CCO[Si](C)(C)C)(C1C=Cc2ccccc21)C1C=Cc2ccccc21.
What is the InChIKey of [3,3-bis(1H-inden-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane?
The InChIKey is NCRMSRHZTWJSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40O2Si2/c1-32(2,3)30-21-19-29(20-22-31-33(4,5)6,27-17-15-23-11-7-9-13-25(23)27)28-18-16-24-12-8-10-14-26(24)28/h7-18,27-28H,19-22H2,1-6H3.
What are the key properties of [3,3-bis(1H-inden-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane?
[3,3-bis(1H-inden-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane has a molecular weight of 476.81 g/mol, XLogP of 8.08, 10 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-trimethylsilyloxypentoxy]-trimethylsilane is sourced from PubChem (CID 18622650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).