5-butyl-5-[(1S)-2-methyl-1H-inden-1-yl]benzo[b][1]benzosilole

C26H26Si — CID 139048881

IUPAC5-butyl-5-[(1S)-2-methyl-1H-inden-1-yl]benzo[b][1]benzosilole
SMILESCCCC[Si]1([C@H]2C(C)=Cc3ccccc32)c2ccccc2-c2ccccc21
InChIInChI=1S/C26H26Si/c1-3-4-17-27(26-19(2)18-20-11-5-6-12-21(20)26)24-15-9-7-13-22(24)23-14-8-10-16-25(23)27/h5-16,18,26H,3-4,17H2,1-2H3/t26-/m0/s1
InChIKeyGSXRZZXEZXVRDQ-SANMLTNESA-N
MW366.58 g/mol
LogP5.77
Rot. Bonds4

About 5-butyl-5-[(1S)-2-methyl-1H-inden-1-yl]benzo[b][1]benzosilole

5-butyl-5-[(1S)-2-methyl-1H-inden-1-yl]benzo[b][1]benzosilole (PubChem CID 139048881) has the molecular formula C26H26Si and a molecular weight of 366.58 g/mol. Its IUPAC name is 5-butyl-5-[(1S)-2-methyl-1H-inden-1-yl]benzo[b][1]benzosilole.

Molecular Properties

Compound Name5-butyl-5-[(1S)-2-methyl-1H-inden-1-yl]benzo[b][1]benzosilole
PubChem CID139048881
Molecular FormulaC26H26Si
Molecular Weight366.58 g/mol
Exact Mass366.18
IUPAC Name5-butyl-5-[(1S)-2-methyl-1H-inden-1-yl]benzo[b][1]benzosilole
SMILESCCCC[Si]1([C@H]2C(C)=Cc3ccccc32)c2ccccc2-c2ccccc21
InChIInChI=1S/C26H26Si/c1-3-4-17-27(26-19(2)18-20-11-5-6-12-21(20)26)24-15-9-7-13-22(24)23-14-8-10-16-25(23)27/h5-16,18,26H,3-4,17H2,1-2H3/t26-/m0/s1
InChIKeyGSXRZZXEZXVRDQ-SANMLTNESA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.58
LogP ≤ 55.77
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

1-ethyl-2-methyl-1H-indene
CID 12910549
3-methyl-2-nonyl-2H-naphthalen-1-one
CID 141348039
9-nonyl-9H-fluorene
CID 22568532
butyl-methyl-(2-methyl-1H-inden-1-yl)-(2,4,6-trimethylphenyl)silane
CID 88592987
bis(2-methyl-1H-inden-1-yl)silane
CID 154500398
1-methanidyl-2-methyl-1H-indene;zirconium
CID 173317989
tetrakis(1-butyl-1-(1,9-dihydrofluoren-1-id-9-yl)siletane);bis(titanium(2+));dichloride
CID 18512956
N-butyl-1-[2-(2-methyl-1H-inden-1-yl)phenyl]ethanimine
CID 23015820
5,5-dibutyl-2-ethylbenzo[b][1]benzosilole
CID 122180194
1-decyl-2-phenyl-1H-indene
CID 91542453
1-heptyl-2-phenyl-1H-indene
CID 91113646
tetrakis(2-methyl-1H-inden-1-yl)silane
CID 54395226

Frequently Asked Questions

What is the IUPAC name of 5-butyl-5-[(1S)-2-methyl-1H-inden-1-yl]benzo[b][1]benzosilole?
The IUPAC name of 5-butyl-5-[(1S)-2-methyl-1H-inden-1-yl]benzo[b][1]benzosilole (CID 139048881) is 5-butyl-5-[(1S)-2-methyl-1H-inden-1-yl]benzo[b][1]benzosilole.
What is the SMILES notation for 5-butyl-5-[(1S)-2-methyl-1H-inden-1-yl]benzo[b][1]benzosilole?
The canonical SMILES for 5-butyl-5-[(1S)-2-methyl-1H-inden-1-yl]benzo[b][1]benzosilole is CCCC[Si]1([C@H]2C(C)=Cc3ccccc32)c2ccccc2-c2ccccc21.
What is the InChIKey of 5-butyl-5-[(1S)-2-methyl-1H-inden-1-yl]benzo[b][1]benzosilole?
The InChIKey is GSXRZZXEZXVRDQ-SANMLTNESA-N. The full InChI is InChI=1S/C26H26Si/c1-3-4-17-27(26-19(2)18-20-11-5-6-12-21(20)26)24-15-9-7-13-22(24)23-14-8-10-16-25(23)27/h5-16,18,26H,3-4,17H2,1-2H3/t26-/m0/s1.
What are the key properties of 5-butyl-5-[(1S)-2-methyl-1H-inden-1-yl]benzo[b][1]benzosilole?
5-butyl-5-[(1S)-2-methyl-1H-inden-1-yl]benzo[b][1]benzosilole has a molecular weight of 366.58 g/mol, XLogP of 5.77, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-5-[(1S)-2-methyl-1H-inden-1-yl]benzo[b][1]benzosilole is sourced from PubChem (CID 139048881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).