trimethoxy-[2-[4-(2-methyl-1H-inden-4-yl)phenyl]ethyl]silane

C21H26O3Si — CID 156900254

IUPACtrimethoxy-[2-[4-(2-methyl-1H-inden-4-yl)phenyl]ethyl]silane
SMILESCO[Si](CCc1ccc(-c2cccc3c2C=C(C)C3)cc1)(OC)OC
InChIInChI=1S/C21H26O3Si/c1-16-14-19-6-5-7-20(21(19)15-16)18-10-8-17(9-11-18)12-13-25(22-2,23-3)24-4/h5-11,15H,12-14H2,1-4H3
InChIKeyHEMUJPMXDUCCAA-UHFFFAOYSA-N
MW354.52 g/mol
LogP4.73
Rot. Bonds7

About trimethoxy-[2-[4-(2-methyl-1H-inden-4-yl)phenyl]ethyl]silane

trimethoxy-[2-[4-(2-methyl-1H-inden-4-yl)phenyl]ethyl]silane (PubChem CID 156900254) has the molecular formula C21H26O3Si and a molecular weight of 354.52 g/mol. Its IUPAC name is trimethoxy-[2-[4-(2-methyl-1H-inden-4-yl)phenyl]ethyl]silane.

Molecular Properties

Compound Nametrimethoxy-[2-[4-(2-methyl-1H-inden-4-yl)phenyl]ethyl]silane
PubChem CID156900254
Molecular FormulaC21H26O3Si
Molecular Weight354.52 g/mol
Exact Mass354.17
IUPAC Nametrimethoxy-[2-[4-(2-methyl-1H-inden-4-yl)phenyl]ethyl]silane
SMILESCO[Si](CCc1ccc(-c2cccc3c2C=C(C)C3)cc1)(OC)OC
InChIInChI=1S/C21H26O3Si/c1-16-14-19-6-5-7-20(21(19)15-16)18-10-8-17(9-11-18)12-13-25(22-2,23-3)24-4/h5-11,15H,12-14H2,1-4H3
InChIKeyHEMUJPMXDUCCAA-UHFFFAOYSA-N
XLogP4.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3,5-dimethoxyphenyl)-2-methyl-1H-indene
CID 173192850
dimethylsilylidenezirconium(2+);bis(2-methyl-4-phenyl-1H-indene);dichloride
CID 173107373
2,6-dimethyl-4-(4-propylphenyl)-1H-indene
CID 87521295
2-phenyl-4-(4-propylphenyl)-1H-indene;zirconium
CID 174563339
4-(2,3-dimethylphenyl)-2-methyl-1H-indene
CID 22259782
4-(3,5-diphenylphenyl)-2-methyl-1H-indene
CID 141047281
2-methyl-4-(3-phenylphenyl)-1H-indene
CID 18008269
2-hexyl-4-(4-propylphenyl)-1H-indene
CID 22507887
2-tert-butyl-4-(4-methoxyphenyl)-1H-indene
CID 87961320
5-[[4-(2-ethyl-1H-inden-4-yl)phenyl]methyl]-2-methoxybenzenethiol
CID 173192624
4-(3,5-ditert-butyl-4-methoxyphenyl)-2-methyl-1H-indene;dichlorozirconium
CID 174797016
trimethoxy-[2-[3-(2-trimethoxysilylethyl)phenyl]ethyl]silane
CID 56847492

Frequently Asked Questions

What is the IUPAC name of trimethoxy-[2-[4-(2-methyl-1H-inden-4-yl)phenyl]ethyl]silane?
The IUPAC name of trimethoxy-[2-[4-(2-methyl-1H-inden-4-yl)phenyl]ethyl]silane (CID 156900254) is trimethoxy-[2-[4-(2-methyl-1H-inden-4-yl)phenyl]ethyl]silane.
What is the SMILES notation for trimethoxy-[2-[4-(2-methyl-1H-inden-4-yl)phenyl]ethyl]silane?
The canonical SMILES for trimethoxy-[2-[4-(2-methyl-1H-inden-4-yl)phenyl]ethyl]silane is CO[Si](CCc1ccc(-c2cccc3c2C=C(C)C3)cc1)(OC)OC.
What is the InChIKey of trimethoxy-[2-[4-(2-methyl-1H-inden-4-yl)phenyl]ethyl]silane?
The InChIKey is HEMUJPMXDUCCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O3Si/c1-16-14-19-6-5-7-20(21(19)15-16)18-10-8-17(9-11-18)12-13-25(22-2,23-3)24-4/h5-11,15H,12-14H2,1-4H3.
What are the key properties of trimethoxy-[2-[4-(2-methyl-1H-inden-4-yl)phenyl]ethyl]silane?
trimethoxy-[2-[4-(2-methyl-1H-inden-4-yl)phenyl]ethyl]silane has a molecular weight of 354.52 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[2-[4-(2-methyl-1H-inden-4-yl)phenyl]ethyl]silane is sourced from PubChem (CID 156900254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).