tert-butyl-[[1-[2-[4-[tert-butyl(dimethyl)silyl]oxy-1H-inden-1-yl]ethyl]-1H-inden-4-yl]oxy]-dimethylsilane

C32H46O2Si2 — CID 23539509

IUPACtert-butyl-[[1-[2-[4-[tert-butyl(dimethyl)silyl]oxy-1H-inden-1-yl]ethyl]-1H-inden-4-yl]oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1cccc2c1C=CC2CCC1C=Cc2c(O[Si](C)(C)C(C)(C)C)cccc21
InChIInChI=1S/C32H46O2Si2/c1-31(2,3)35(7,8)33-29-15-11-13-25-23(19-21-27(25)29)17-18-24-20-22-28-26(24)14-12-16-30(28)34-36(9,10)32(4,5)6/h11-16,19-24H,17-18H2,1-10H3
InChIKeyCHTKINKHUFHTBM-UHFFFAOYSA-N
MW518.89 g/mol
LogP10.16
Rot. Bonds7

About tert-butyl-[[1-[2-[4-[tert-butyl(dimethyl)silyl]oxy-1H-inden-1-yl]ethyl]-1H-inden-4-yl]oxy]-dimethylsilane

tert-butyl-[[1-[2-[4-[tert-butyl(dimethyl)silyl]oxy-1H-inden-1-yl]ethyl]-1H-inden-4-yl]oxy]-dimethylsilane (PubChem CID 23539509) has the molecular formula C32H46O2Si2 and a molecular weight of 518.89 g/mol. Its IUPAC name is tert-butyl-[[1-[2-[4-[tert-butyl(dimethyl)silyl]oxy-1H-inden-1-yl]ethyl]-1H-inden-4-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[1-[2-[4-[tert-butyl(dimethyl)silyl]oxy-1H-inden-1-yl]ethyl]-1H-inden-4-yl]oxy]-dimethylsilane
PubChem CID23539509
Molecular FormulaC32H46O2Si2
Molecular Weight518.89 g/mol
Exact Mass518.30
IUPAC Nametert-butyl-[[1-[2-[4-[tert-butyl(dimethyl)silyl]oxy-1H-inden-1-yl]ethyl]-1H-inden-4-yl]oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1cccc2c1C=CC2CCC1C=Cc2c(O[Si](C)(C)C(C)(C)C)cccc21
InChIInChI=1S/C32H46O2Si2/c1-31(2,3)35(7,8)33-29-15-11-13-25-23(19-21-27(25)29)17-18-24-20-22-28-26(24)14-12-16-30(28)34-36(9,10)32(4,5)6/h11-16,19-24H,17-18H2,1-10H3
InChIKeyCHTKINKHUFHTBM-UHFFFAOYSA-N
XLogP10.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.89
LogP ≤ 510.16
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 tert-butyl-[[1-[2-[4-[tert-butyl(dimethyl)silyl]oxy-1H-inden-1-yl]ethyl]-1H-inden-4-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[1-[2-[4-[tert-butyl(dimethyl)silyl]oxy-1H-inden-1-yl]ethyl]-1H-inden-4-yl]oxy]-dimethylsilane (CID 23539509) is tert-butyl-[[1-[2-[4-[tert-butyl(dimethyl)silyl]oxy-1H-inden-1-yl]ethyl]-1H-inden-4-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[1-[2-[4-[tert-butyl(dimethyl)silyl]oxy-1H-inden-1-yl]ethyl]-1H-inden-4-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[1-[2-[4-[tert-butyl(dimethyl)silyl]oxy-1H-inden-1-yl]ethyl]-1H-inden-4-yl]oxy]-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1cccc2c1C=CC2CCC1C=Cc2c(O[Si](C)(C)C(C)(C)C)cccc21.
What is the InChIKey of tert-butyl-[[1-[2-[4-[tert-butyl(dimethyl)silyl]oxy-1H-inden-1-yl]ethyl]-1H-inden-4-yl]oxy]-dimethylsilane?
The InChIKey is CHTKINKHUFHTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46O2Si2/c1-31(2,3)35(7,8)33-29-15-11-13-25-23(19-21-27(25)29)17-18-24-20-22-28-26(24)14-12-16-30(28)34-36(9,10)32(4,5)6/h11-16,19-24H,17-18H2,1-10H3.
What are the key properties of tert-butyl-[[1-[2-[4-[tert-butyl(dimethyl)silyl]oxy-1H-inden-1-yl]ethyl]-1H-inden-4-yl]oxy]-dimethylsilane?
tert-butyl-[[1-[2-[4-[tert-butyl(dimethyl)silyl]oxy-1H-inden-1-yl]ethyl]-1H-inden-4-yl]oxy]-dimethylsilane has a molecular weight of 518.89 g/mol, XLogP of 10.16, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[1-[2-[4-[tert-butyl(dimethyl)silyl]oxy-1H-inden-1-yl]ethyl]-1H-inden-4-yl]oxy]-dimethylsilane is sourced from PubChem (CID 23539509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).