chloro-fluoren-4a-id-9-yl-bis(trimethylsilylmethyl)silane

C21H30ClSi3- — CID 5257226

IUPACchloro-fluoren-4a-id-9-yl-bis(trimethylsilylmethyl)silane
SMILESC[Si](C)(C)C[Si](Cl)(C[Si](C)(C)C)c1c2ccccc2[c-]2ccccc12
InChIInChI=1S/C21H30ClSi3/c1-23(2,3)15-25(22,16-24(4,5)6)21-19-13-9-7-11-17(19)18-12-8-10-14-20(18)21/h7-14H,15-16H2,1-6H3/q-1
InChIKeyCCLVABMNEUSICC-UHFFFAOYSA-N
MW402.18 g/mol
LogP6.86
Rot. Bonds5

About chloro-fluoren-4a-id-9-yl-bis(trimethylsilylmethyl)silane

chloro-fluoren-4a-id-9-yl-bis(trimethylsilylmethyl)silane (PubChem CID 5257226) has the molecular formula C21H30ClSi3- and a molecular weight of 402.18 g/mol. Its IUPAC name is chloro-fluoren-4a-id-9-yl-bis(trimethylsilylmethyl)silane.

Molecular Properties

Compound Namechloro-fluoren-4a-id-9-yl-bis(trimethylsilylmethyl)silane
PubChem CID5257226
Molecular FormulaC21H30ClSi3-
Molecular Weight402.18 g/mol
Exact Mass401.13
IUPAC Namechloro-fluoren-4a-id-9-yl-bis(trimethylsilylmethyl)silane
SMILESC[Si](C)(C)C[Si](Cl)(C[Si](C)(C)C)c1c2ccccc2[c-]2ccccc12
InChIInChI=1S/C21H30ClSi3/c1-23(2,3)15-25(22,16-24(4,5)6)21-19-13-9-7-11-17(19)18-12-8-10-14-20(18)21/h7-14H,15-16H2,1-6H3/q-1
InChIKeyCCLVABMNEUSICC-UHFFFAOYSA-N
XLogP6.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.18
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-fluoren-4a-id-9-yl-bis(trimethylsilylmethyl)silane?
The IUPAC name of chloro-fluoren-4a-id-9-yl-bis(trimethylsilylmethyl)silane (CID 5257226) is chloro-fluoren-4a-id-9-yl-bis(trimethylsilylmethyl)silane.
What is the SMILES notation for chloro-fluoren-4a-id-9-yl-bis(trimethylsilylmethyl)silane?
The canonical SMILES for chloro-fluoren-4a-id-9-yl-bis(trimethylsilylmethyl)silane is C[Si](C)(C)C[Si](Cl)(C[Si](C)(C)C)c1c2ccccc2[c-]2ccccc12.
What is the InChIKey of chloro-fluoren-4a-id-9-yl-bis(trimethylsilylmethyl)silane?
The InChIKey is CCLVABMNEUSICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClSi3/c1-23(2,3)15-25(22,16-24(4,5)6)21-19-13-9-7-11-17(19)18-12-8-10-14-20(18)21/h7-14H,15-16H2,1-6H3/q-1.
What are the key properties of chloro-fluoren-4a-id-9-yl-bis(trimethylsilylmethyl)silane?
chloro-fluoren-4a-id-9-yl-bis(trimethylsilylmethyl)silane has a molecular weight of 402.18 g/mol, XLogP of 6.86, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-fluoren-4a-id-9-yl-bis(trimethylsilylmethyl)silane is sourced from PubChem (CID 5257226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).