[3-(9H-fluoren-9-yl)-2-methylcyclopenta-1,3-dien-1-yl]-dimethylsilane

C21H22Si — CID 137327791

IUPAC[3-(9H-fluoren-9-yl)-2-methylcyclopenta-1,3-dien-1-yl]-dimethylsilane
SMILESCC1=C([SiH](C)C)CC=C1C1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H22Si/c1-14-15(12-13-20(14)22(2)3)21-18-10-6-4-8-16(18)17-9-5-7-11-19(17)21/h4-12,21-22H,13H2,1-3H3
InChIKeyZNWGFOBWOUHYPD-UHFFFAOYSA-N
MW302.49 g/mol
LogP5.47
Rot. Bonds2

About [3-(9H-fluoren-9-yl)-2-methylcyclopenta-1,3-dien-1-yl]-dimethylsilane

[3-(9H-fluoren-9-yl)-2-methylcyclopenta-1,3-dien-1-yl]-dimethylsilane (PubChem CID 137327791) has the molecular formula C21H22Si and a molecular weight of 302.49 g/mol. Its IUPAC name is [3-(9H-fluoren-9-yl)-2-methylcyclopenta-1,3-dien-1-yl]-dimethylsilane.

Molecular Properties

Compound Name[3-(9H-fluoren-9-yl)-2-methylcyclopenta-1,3-dien-1-yl]-dimethylsilane
PubChem CID137327791
Molecular FormulaC21H22Si
Molecular Weight302.49 g/mol
Exact Mass302.15
IUPAC Name[3-(9H-fluoren-9-yl)-2-methylcyclopenta-1,3-dien-1-yl]-dimethylsilane
SMILESCC1=C([SiH](C)C)CC=C1C1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H22Si/c1-14-15(12-13-20(14)22(2)3)21-18-10-6-4-8-16(18)17-9-5-7-11-19(17)21/h4-12,21-22H,13H2,1-3H3
InChIKeyZNWGFOBWOUHYPD-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.49
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(9H-fluoren-9-yl)-2-methylcyclopenta-1,3-dien-1-yl]-dimethylsilane?
The IUPAC name of [3-(9H-fluoren-9-yl)-2-methylcyclopenta-1,3-dien-1-yl]-dimethylsilane (CID 137327791) is [3-(9H-fluoren-9-yl)-2-methylcyclopenta-1,3-dien-1-yl]-dimethylsilane.
What is the SMILES notation for [3-(9H-fluoren-9-yl)-2-methylcyclopenta-1,3-dien-1-yl]-dimethylsilane?
The canonical SMILES for [3-(9H-fluoren-9-yl)-2-methylcyclopenta-1,3-dien-1-yl]-dimethylsilane is CC1=C([SiH](C)C)CC=C1C1c2ccccc2-c2ccccc21.
What is the InChIKey of [3-(9H-fluoren-9-yl)-2-methylcyclopenta-1,3-dien-1-yl]-dimethylsilane?
The InChIKey is ZNWGFOBWOUHYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Si/c1-14-15(12-13-20(14)22(2)3)21-18-10-6-4-8-16(18)17-9-5-7-11-19(17)21/h4-12,21-22H,13H2,1-3H3.
What are the key properties of [3-(9H-fluoren-9-yl)-2-methylcyclopenta-1,3-dien-1-yl]-dimethylsilane?
[3-(9H-fluoren-9-yl)-2-methylcyclopenta-1,3-dien-1-yl]-dimethylsilane has a molecular weight of 302.49 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(9H-fluoren-9-yl)-2-methylcyclopenta-1,3-dien-1-yl]-dimethylsilane is sourced from PubChem (CID 137327791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).