[3-(2-butan-2-yl-5-propyl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane

C28H42Si2 — CID 87702898

IUPAC[3-(2-butan-2-yl-5-propyl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane
SMILESCCCc1ccc2c(c1-c1cc([Si](C)(C)C)cc([Si](C)(C)C)c1)C=C(C(C)CC)C2
InChIInChI=1S/C28H42Si2/c1-10-12-21-13-14-22-15-23(20(3)11-2)18-27(22)28(21)24-16-25(29(4,5)6)19-26(17-24)30(7,8)9/h13-14,16-20H,10-12,15H2,1-9H3
InChIKeySPAYSFUONJVHOJ-UHFFFAOYSA-N
MW434.82 g/mol
LogP7.38
Rot. Bonds7

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

[3-(2-butan-2-yl-5-propyl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane (PubChem CID 87702898) has the molecular formula C28H42Si2 and a molecular weight of 434.82 g/mol. Its IUPAC name is [3-(2-butan-2-yl-5-propyl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane.

Molecular Properties

Compound Name[3-(2-butan-2-yl-5-propyl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane
PubChem CID87702898
Molecular FormulaC28H42Si2
Molecular Weight434.82 g/mol
Exact Mass434.28
IUPAC Name[3-(2-butan-2-yl-5-propyl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane
SMILESCCCc1ccc2c(c1-c1cc([Si](C)(C)C)cc([Si](C)(C)C)c1)C=C(C(C)CC)C2
InChIInChI=1S/C28H42Si2/c1-10-12-21-13-14-22-15-23(20(3)11-2)18-27(22)28(21)24-16-25(29(4,5)6)19-26(17-24)30(7,8)9/h13-14,16-20H,10-12,15H2,1-9H3
InChIKeySPAYSFUONJVHOJ-UHFFFAOYSA-N
XLogP7.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.82
LogP ≤ 57.38
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-(2-butan-2-yl-5-propyl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane?
The IUPAC name of [3-(2-butan-2-yl-5-propyl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane (CID 87702898) is [3-(2-butan-2-yl-5-propyl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane.
What is the SMILES notation for [3-(2-butan-2-yl-5-propyl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane?
The canonical SMILES for [3-(2-butan-2-yl-5-propyl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane is CCCc1ccc2c(c1-c1cc([Si](C)(C)C)cc([Si](C)(C)C)c1)C=C(C(C)CC)C2.
What is the InChIKey of [3-(2-butan-2-yl-5-propyl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane?
The InChIKey is SPAYSFUONJVHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42Si2/c1-10-12-21-13-14-22-15-23(20(3)11-2)18-27(22)28(21)24-16-25(29(4,5)6)19-26(17-24)30(7,8)9/h13-14,16-20H,10-12,15H2,1-9H3.
What are the key properties of [3-(2-butan-2-yl-5-propyl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane?
[3-(2-butan-2-yl-5-propyl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane has a molecular weight of 434.82 g/mol, XLogP of 7.38, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-butan-2-yl-5-propyl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane is sourced from PubChem (CID 87702898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).