(2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-triphenylsilane

C28H28Si — CID 140588324

IUPAC(2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-triphenylsilane
SMILESCC1CC2CC=CC=C2C1[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28Si/c1-22-21-23-13-11-12-20-27(23)28(22)29(24-14-5-2-6-15-24,25-16-7-3-8-17-25)26-18-9-4-10-19-26/h2-12,14-20,22-23,28H,13,21H2,1H3
InChIKeyXPPJSARLLKOYNW-UHFFFAOYSA-N
MW392.62 g/mol
LogP5.07
Rot. Bonds4

About (2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-triphenylsilane

(2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-triphenylsilane (PubChem CID 140588324) has the molecular formula C28H28Si and a molecular weight of 392.62 g/mol. Its IUPAC name is (2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-triphenylsilane.

Molecular Properties

Compound Name(2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-triphenylsilane
PubChem CID140588324
Molecular FormulaC28H28Si
Molecular Weight392.62 g/mol
Exact Mass392.20
IUPAC Name(2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-triphenylsilane
SMILESCC1CC2CC=CC=C2C1[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28Si/c1-22-21-23-13-11-12-20-27(23)28(22)29(24-14-5-2-6-15-24,25-16-7-3-8-17-25)26-18-9-4-10-19-26/h2-12,14-20,22-23,28H,13,21H2,1H3
InChIKeyXPPJSARLLKOYNW-UHFFFAOYSA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.62
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-tris(3-methylphenyl)silane
CID 140588913
1-cyclopenta-2,4-dien-1-yl-2-methyl-2,3,3a,4-tetrahydro-1H-indene
CID 140970870
1-(6-methylcyclohexa-1,3-dien-1-yl)butylbenzene
CID 142113855
(1R,6R)-6-triphenylsilylcyclohex-3-en-1-ol
CID 102273843
2-methyl-2,3,3a,4-tetrahydroindol-1-ide
CID 19835384
[(1R,5S)-5-methylcyclohex-3-en-1-yl]benzene
CID 122384341
di(cyclohexa-2,4-dien-1-yl)-phenyl-(3-triphenylsilylcyclohexa-1,5-dien-1-yl)silane
CID 168834161
2,3,3a,4-tetrahydro-1H-inden-1-yl(dimethyl)silane
CID 150074036
di(cyclopenta-1,3-dien-1-yl)-diphenylsilane
CID 18430524
4-N-[4-(N-(6-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 155105871
3-methyl-2-phenyl-2,3,3a,4-tetrahydro-1-benzofuran
CID 146679888
[(3R,4R)-3-iodo-4-methylcyclopentyl]benzene
CID 89411404

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-triphenylsilane?
The IUPAC name of (2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-triphenylsilane (CID 140588324) is (2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-triphenylsilane.
What is the SMILES notation for (2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-triphenylsilane?
The canonical SMILES for (2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-triphenylsilane is CC1CC2CC=CC=C2C1[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-triphenylsilane?
The InChIKey is XPPJSARLLKOYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28Si/c1-22-21-23-13-11-12-20-27(23)28(22)29(24-14-5-2-6-15-24,25-16-7-3-8-17-25)26-18-9-4-10-19-26/h2-12,14-20,22-23,28H,13,21H2,1H3.
What are the key properties of (2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-triphenylsilane?
(2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-triphenylsilane has a molecular weight of 392.62 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-triphenylsilane is sourced from PubChem (CID 140588324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).