4,4-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-triphenylsilane

C41H46OSi — CID 18622644

IUPAC4,4-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-triphenylsilane
SMILESCC(CCCO[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(C1CCC2C=CC=CC21)C1CCC2C=CC=CC21
InChIInChI=1S/C41H46OSi/c1-41(39-28-26-32-16-11-13-24-37(32)39,40-29-27-33-17-12-14-25-38(33)40)30-15-31-42-43(34-18-5-2-6-19-34,35-20-7-3-8-21-35)36-22-9-4-10-23-36/h2-14,16-25,32-33,37-40H,15,26-31H2,1H3
InChIKeyCYHAYRDTGLAPSY-UHFFFAOYSA-N
MW582.90 g/mol
LogP7.99
Rot. Bonds10

About 4,4-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-triphenylsilane

4,4-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-triphenylsilane (PubChem CID 18622644) has the molecular formula C41H46OSi and a molecular weight of 582.90 g/mol. Its IUPAC name is 4,4-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-triphenylsilane.

Molecular Properties

Compound Name4,4-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-triphenylsilane
PubChem CID18622644
Molecular FormulaC41H46OSi
Molecular Weight582.90 g/mol
Exact Mass582.33
IUPAC Name4,4-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-triphenylsilane
SMILESCC(CCCO[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(C1CCC2C=CC=CC21)C1CCC2C=CC=CC21
InChIInChI=1S/C41H46OSi/c1-41(39-28-26-32-16-11-13-24-37(32)39,40-29-27-33-17-12-14-25-38(33)40)30-15-31-42-43(34-18-5-2-6-19-34,35-20-7-3-8-21-35)36-22-9-4-10-23-36/h2-14,16-25,32-33,37-40H,15,26-31H2,1H3
InChIKeyCYHAYRDTGLAPSY-UHFFFAOYSA-N
XLogP7.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.90
LogP ≤ 57.99
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4,4-di(cyclopenta-2,4-dien-1-yl)pentoxy-triphenylsilane
CID 86212953
[2,2-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane;zirconium(2+);dichloride
CID 18622844
triphenyl(4,4,4-trifluorobutoxy)silane
CID 150215925
[3,3-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-5-triphenylsilyloxypentoxy]-triphenylsilane
CID 18622593
2,3,3a,7a-tetrahydro-1H-inden-1-yl-dimethyl-phenylsilane
CID 59962316
[4-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-4-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane;zirconium(2+);dichloride
CID 18622847
9-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)propan-2-yl]-9H-fluorene
CID 140872855
[3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane;zirconium(2+);dichloride
CID 18622729
4,4-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)pentoxy-triethylsilane
CID 18622695
4,4-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)pentoxy-trimethylsilane;zirconium(2+);dichloride
CID 18622865
1-[4-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)heptan-4-yl]-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)hex-5-en-2-yl]-2,3,3a,7a-tetrahydro-1H-indene;1-[5-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)nonan-5-yl]-2,3,3a,7a-tetrahydro-1H-indene;1-[3-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentan-3-yl]-2,3,3a,7a-tetrahydro-1H-indene;1-[1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-1-phenylethyl]-2,3,3a,7a-tetrahydro-1H-indene;1-[1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-1-phenylpent-4-enyl]-2,3,3a,7a-tetrahydro-1H-indene;bis(1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)propan-2-yl]-2,3,3a,7a-tetrahydro-1H-indene);propane
CID 162276865
4-[tert-butyl(diphenyl)silyl]oxy-1,1-diphenylbutan-1-ol
CID 165343479

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-triphenylsilane?
The IUPAC name of 4,4-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-triphenylsilane (CID 18622644) is 4,4-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-triphenylsilane.
What is the SMILES notation for 4,4-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-triphenylsilane?
The canonical SMILES for 4,4-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-triphenylsilane is CC(CCCO[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(C1CCC2C=CC=CC21)C1CCC2C=CC=CC21.
What is the InChIKey of 4,4-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-triphenylsilane?
The InChIKey is CYHAYRDTGLAPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H46OSi/c1-41(39-28-26-32-16-11-13-24-37(32)39,40-29-27-33-17-12-14-25-38(33)40)30-15-31-42-43(34-18-5-2-6-19-34,35-20-7-3-8-21-35)36-22-9-4-10-23-36/h2-14,16-25,32-33,37-40H,15,26-31H2,1H3.
What are the key properties of 4,4-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-triphenylsilane?
4,4-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-triphenylsilane has a molecular weight of 582.90 g/mol, XLogP of 7.99, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-triphenylsilane is sourced from PubChem (CID 18622644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).