1-(2-methylbutyl)-1-(2-methyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silinane

C26H38Si — CID 162289121

IUPAC1-(2-methylbutyl)-1-(2-methyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silinane
SMILESCCC(C)C[Si]1(C2C(C)CC3C(c4ccccc4)=CC=CC32)CCCCC1
InChIInChI=1S/C26H38Si/c1-4-20(2)19-27(16-9-6-10-17-27)26-21(3)18-25-23(14-11-15-24(25)26)22-12-7-5-8-13-22/h5,7-8,11-15,20-21,24-26H,4,6,9-10,16-19H2,1-3H3
InChIKeyWCXFXTXEGZKNAW-UHFFFAOYSA-N
MW378.68 g/mol
LogP7.96
Rot. Bonds5

About 1-(2-methylbutyl)-1-(2-methyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silinane

1-(2-methylbutyl)-1-(2-methyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silinane (PubChem CID 162289121) has the molecular formula C26H38Si and a molecular weight of 378.68 g/mol. Its IUPAC name is 1-(2-methylbutyl)-1-(2-methyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silinane.

Molecular Properties

Compound Name1-(2-methylbutyl)-1-(2-methyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silinane
PubChem CID162289121
Molecular FormulaC26H38Si
Molecular Weight378.68 g/mol
Exact Mass378.27
IUPAC Name1-(2-methylbutyl)-1-(2-methyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silinane
SMILESCCC(C)C[Si]1(C2C(C)CC3C(c4ccccc4)=CC=CC32)CCCCC1
InChIInChI=1S/C26H38Si/c1-4-20(2)19-27(16-9-6-10-17-27)26-21(3)18-25-23(14-11-15-24(25)26)22-12-7-5-8-13-22/h5,7-8,11-15,20-21,24-26H,4,6,9-10,16-19H2,1-3H3
InChIKeyWCXFXTXEGZKNAW-UHFFFAOYSA-N
XLogP7.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.68
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(2-methyl-4,8-diphenyl-1,2,3,3a,5,6,7,8a-octahydro-s-indacen-1-yl)silane
CID 72574460
2-methyl-1-[3-(2-methyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)propyl]-4-phenyl-1H-indene
CID 162298446
carbanide;dichlorozirconium(2+);2-methyl-1-[3-(2-methyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)propyl]-4-phenyl-1H-indene
CID 162298445
bis[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-methyl-propylsilane
CID 156627158
(5-propan-2-ylcyclopenta-1,3-dien-1-yl)benzene
CID 175483220
(6R)-2,5-diphenylbicyclo[4.1.0]hepta-2,4-diene
CID 145063916
1-ethyl-2-phenyl-2,3,3a,7a-tetrahydro-1H-indene
CID 21095473
[4-(4-ethylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-[2-methyl-4-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane
CID 162289724
2-phenyl-1-propyl-2,3,3a,7a-tetrahydro-1H-indene
CID 21095760
carbanide;[4-(3,5-ditert-butyl-4-methoxyphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-[4-(2-phenylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane;zirconium(4+)
CID 162293972
[4-(3,5-ditert-butyl-4-methylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[2-hexyl-4-(2-phenylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane
CID 162270332
bis[4-(4-tert-butylphenyl)-2-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane
CID 59227036

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutyl)-1-(2-methyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silinane?
The IUPAC name of 1-(2-methylbutyl)-1-(2-methyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silinane (CID 162289121) is 1-(2-methylbutyl)-1-(2-methyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silinane.
What is the SMILES notation for 1-(2-methylbutyl)-1-(2-methyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silinane?
The canonical SMILES for 1-(2-methylbutyl)-1-(2-methyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silinane is CCC(C)C[Si]1(C2C(C)CC3C(c4ccccc4)=CC=CC32)CCCCC1.
What is the InChIKey of 1-(2-methylbutyl)-1-(2-methyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silinane?
The InChIKey is WCXFXTXEGZKNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38Si/c1-4-20(2)19-27(16-9-6-10-17-27)26-21(3)18-25-23(14-11-15-24(25)26)22-12-7-5-8-13-22/h5,7-8,11-15,20-21,24-26H,4,6,9-10,16-19H2,1-3H3.
What are the key properties of 1-(2-methylbutyl)-1-(2-methyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silinane?
1-(2-methylbutyl)-1-(2-methyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silinane has a molecular weight of 378.68 g/mol, XLogP of 7.96, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutyl)-1-(2-methyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silinane is sourced from PubChem (CID 162289121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).