[3-(5-ethyl-2-propan-2-yl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane

C26H38Si2 — CID 87703672

IUPAC[3-(5-ethyl-2-propan-2-yl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane
SMILESCCc1ccc2c(c1-c1cc([Si](C)(C)C)cc([Si](C)(C)C)c1)C=C(C(C)C)C2
InChIInChI=1S/C26H38Si2/c1-10-19-11-12-20-13-21(18(2)3)16-25(20)26(19)22-14-23(27(4,5)6)17-24(15-22)28(7,8)9/h11-12,14-18H,10,13H2,1-9H3
InChIKeyJDUBPBDANUGJEH-UHFFFAOYSA-N
MW406.76 g/mol
LogP6.60
Rot. Bonds5

About [3-(5-ethyl-2-propan-2-yl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane

[3-(5-ethyl-2-propan-2-yl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane (PubChem CID 87703672) has the molecular formula C26H38Si2 and a molecular weight of 406.76 g/mol. Its IUPAC name is [3-(5-ethyl-2-propan-2-yl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane.

Molecular Properties

Compound Name[3-(5-ethyl-2-propan-2-yl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane
PubChem CID87703672
Molecular FormulaC26H38Si2
Molecular Weight406.76 g/mol
Exact Mass406.25
IUPAC Name[3-(5-ethyl-2-propan-2-yl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane
SMILESCCc1ccc2c(c1-c1cc([Si](C)(C)C)cc([Si](C)(C)C)c1)C=C(C(C)C)C2
InChIInChI=1S/C26H38Si2/c1-10-19-11-12-20-13-21(18(2)3)16-25(20)26(19)22-14-23(27(4,5)6)17-24(15-22)28(7,8)9/h11-12,14-18H,10,13H2,1-9H3
InChIKeyJDUBPBDANUGJEH-UHFFFAOYSA-N
XLogP6.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.76
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 [3-(5-ethyl-2-propan-2-yl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane?
The IUPAC name of [3-(5-ethyl-2-propan-2-yl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane (CID 87703672) is [3-(5-ethyl-2-propan-2-yl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane.
What is the SMILES notation for [3-(5-ethyl-2-propan-2-yl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane?
The canonical SMILES for [3-(5-ethyl-2-propan-2-yl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane is CCc1ccc2c(c1-c1cc([Si](C)(C)C)cc([Si](C)(C)C)c1)C=C(C(C)C)C2.
What is the InChIKey of [3-(5-ethyl-2-propan-2-yl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane?
The InChIKey is JDUBPBDANUGJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38Si2/c1-10-19-11-12-20-13-21(18(2)3)16-25(20)26(19)22-14-23(27(4,5)6)17-24(15-22)28(7,8)9/h11-12,14-18H,10,13H2,1-9H3.
What are the key properties of [3-(5-ethyl-2-propan-2-yl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane?
[3-(5-ethyl-2-propan-2-yl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane has a molecular weight of 406.76 g/mol, XLogP of 6.60, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-ethyl-2-propan-2-yl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane is sourced from PubChem (CID 87703672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).