4,4-bis(1H-inden-1-yl)pentoxy-triethylsilane

C29H38OSi — CID 18622638

IUPAC4,4-bis(1H-inden-1-yl)pentoxy-triethylsilane
SMILESCC[Si](CC)(CC)OCCCC(C)(C1C=Cc2ccccc21)C1C=Cc2ccccc21
InChIInChI=1S/C29H38OSi/c1-5-31(6-2,7-3)30-22-12-21-29(4,27-19-17-23-13-8-10-15-25(23)27)28-20-18-24-14-9-11-16-26(24)28/h8-11,13-20,27-28H,5-7,12,21-22H2,1-4H3
InChIKeyNZJSZPXNQUMGLH-UHFFFAOYSA-N
MW430.71 g/mol
LogP8.42
Rot. Bonds10

About 4,4-bis(1H-inden-1-yl)pentoxy-triethylsilane

4,4-bis(1H-inden-1-yl)pentoxy-triethylsilane (PubChem CID 18622638) has the molecular formula C29H38OSi and a molecular weight of 430.71 g/mol. Its IUPAC name is 4,4-bis(1H-inden-1-yl)pentoxy-triethylsilane.

Molecular Properties

Compound Name4,4-bis(1H-inden-1-yl)pentoxy-triethylsilane
PubChem CID18622638
Molecular FormulaC29H38OSi
Molecular Weight430.71 g/mol
Exact Mass430.27
IUPAC Name4,4-bis(1H-inden-1-yl)pentoxy-triethylsilane
SMILESCC[Si](CC)(CC)OCCCC(C)(C1C=Cc2ccccc21)C1C=Cc2ccccc21
InChIInChI=1S/C29H38OSi/c1-5-31(6-2,7-3)30-22-12-21-29(4,27-19-17-23-13-8-10-15-25(23)27)28-20-18-24-14-9-11-16-26(24)28/h8-11,13-20,27-28H,5-7,12,21-22H2,1-4H3
InChIKeyNZJSZPXNQUMGLH-UHFFFAOYSA-N
XLogP8.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.71
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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triethyl-[(1Z,4E)-4-methyl-3,5-diphenylpenta-1,4-dienoxy]silane
CID 102410662
tert-butyl-[4-[(1S)-cyclohex-2-en-1-yl]butoxy]-diphenylsilane
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Triethyl-[[2-fluoro-9-(triethylsilyloxymethyl)fluoren-9-yl]methoxy]silane
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[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
Tert-butyl-[3-(5-fluoro-2-methylphenyl)pentoxy]-dimethylsilane
CID 123982496
tert-butyl-[[(8S,9R,13S,14S,17S)-9-ethenyl-17-fluoro-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-13-yl]methoxy]-dimethylsilane
CID 140514538

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(1H-inden-1-yl)pentoxy-triethylsilane?
The IUPAC name of 4,4-bis(1H-inden-1-yl)pentoxy-triethylsilane (CID 18622638) is 4,4-bis(1H-inden-1-yl)pentoxy-triethylsilane.
What is the SMILES notation for 4,4-bis(1H-inden-1-yl)pentoxy-triethylsilane?
The canonical SMILES for 4,4-bis(1H-inden-1-yl)pentoxy-triethylsilane is CC[Si](CC)(CC)OCCCC(C)(C1C=Cc2ccccc21)C1C=Cc2ccccc21.
What is the InChIKey of 4,4-bis(1H-inden-1-yl)pentoxy-triethylsilane?
The InChIKey is NZJSZPXNQUMGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38OSi/c1-5-31(6-2,7-3)30-22-12-21-29(4,27-19-17-23-13-8-10-15-25(23)27)28-20-18-24-14-9-11-16-26(24)28/h8-11,13-20,27-28H,5-7,12,21-22H2,1-4H3.
What are the key properties of 4,4-bis(1H-inden-1-yl)pentoxy-triethylsilane?
4,4-bis(1H-inden-1-yl)pentoxy-triethylsilane has a molecular weight of 430.71 g/mol, XLogP of 8.42, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(1H-inden-1-yl)pentoxy-triethylsilane is sourced from PubChem (CID 18622638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).