(2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-tris(3-methylphenyl)silane

C31H34Si — CID 140588913

IUPAC(2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-tris(3-methylphenyl)silane
SMILESCc1cccc([Si](c2cccc(C)c2)(c2cccc(C)c2)C2C3=CC=CCC3CC2C)c1
InChIInChI=1S/C31H34Si/c1-22-10-7-14-27(18-22)32(28-15-8-11-23(2)19-28,29-16-9-12-24(3)20-29)31-25(4)21-26-13-5-6-17-30(26)31/h5-12,14-20,25-26,31H,13,21H2,1-4H3
InChIKeyXRHJLTJYSDJZBU-UHFFFAOYSA-N
MW434.70 g/mol
LogP5.99
Rot. Bonds4

About (2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-tris(3-methylphenyl)silane

(2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-tris(3-methylphenyl)silane (PubChem CID 140588913) has the molecular formula C31H34Si and a molecular weight of 434.70 g/mol. Its IUPAC name is (2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-tris(3-methylphenyl)silane.

Molecular Properties

Compound Name(2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-tris(3-methylphenyl)silane
PubChem CID140588913
Molecular FormulaC31H34Si
Molecular Weight434.70 g/mol
Exact Mass434.24
IUPAC Name(2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-tris(3-methylphenyl)silane
SMILESCc1cccc([Si](c2cccc(C)c2)(c2cccc(C)c2)C2C3=CC=CCC3CC2C)c1
InChIInChI=1S/C31H34Si/c1-22-10-7-14-27(18-22)32(28-15-8-11-23(2)19-28,29-16-9-12-24(3)20-29)31-25(4)21-26-13-5-6-17-30(26)31/h5-12,14-20,25-26,31H,13,21H2,1-4H3
InChIKeyXRHJLTJYSDJZBU-UHFFFAOYSA-N
XLogP5.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.70
LogP ≤ 55.99
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)-triphenylsilane
CID 140588324
cyclopenta-1,3-dien-1-yl-(3-methylphenyl)-diphenylsilane
CID 21188975
bis(3-methylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 152748439
1-methyl-3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]benzene
CID 142806847
2,4-dimethyl-3-(3-methylphenyl)pyrrolidine
CID 130952107
ethyl-methyl-bis(3-methylphenyl)silane
CID 58460541
dichloro-ethyl-(3-methylphenyl)silane
CID 15514735
tris(3-methylphenyl)-triphenylsilyloxysilane
CID 5140856
(3-methylphenyl)-tripropylsilane
CID 101204991
1,1'-biphenyl;1-cyclopenta-1,3-dien-1-yl-3-methylbenzene
CID 174397877
ethane;methylcyclopropane;1,3-xylene
CID 142338532
1-methyl-3-(4-methylcyclohex-3-en-1-yl)benzene
CID 57030513

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-tris(3-methylphenyl)silane?
The IUPAC name of (2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-tris(3-methylphenyl)silane (CID 140588913) is (2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-tris(3-methylphenyl)silane.
What is the SMILES notation for (2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-tris(3-methylphenyl)silane?
The canonical SMILES for (2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-tris(3-methylphenyl)silane is Cc1cccc([Si](c2cccc(C)c2)(c2cccc(C)c2)C2C3=CC=CCC3CC2C)c1.
What is the InChIKey of (2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-tris(3-methylphenyl)silane?
The InChIKey is XRHJLTJYSDJZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34Si/c1-22-10-7-14-27(18-22)32(28-15-8-11-23(2)19-28,29-16-9-12-24(3)20-29)31-25(4)21-26-13-5-6-17-30(26)31/h5-12,14-20,25-26,31H,13,21H2,1-4H3.
What are the key properties of (2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-tris(3-methylphenyl)silane?
(2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-tris(3-methylphenyl)silane has a molecular weight of 434.70 g/mol, XLogP of 5.99, 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)-tris(3-methylphenyl)silane is sourced from PubChem (CID 140588913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).