1,1-bis(2,4,6-trimethylphenyl)siletane

C21H28Si — CID 71381101

IUPAC1,1-bis(2,4,6-trimethylphenyl)siletane
SMILESCc1cc(C)c([Si]2(c3c(C)cc(C)cc3C)CCC2)c(C)c1
InChIInChI=1S/C21H28Si/c1-14-10-16(3)20(17(4)11-14)22(8-7-9-22)21-18(5)12-15(2)13-19(21)6/h10-13H,7-9H2,1-6H3
InChIKeyHFVPPWNGDBOLEW-UHFFFAOYSA-N
MW308.54 g/mol
LogP4.50
Rot. Bonds2

About 1,1-bis(2,4,6-trimethylphenyl)siletane

1,1-bis(2,4,6-trimethylphenyl)siletane (PubChem CID 71381101) has the molecular formula C21H28Si and a molecular weight of 308.54 g/mol. Its IUPAC name is 1,1-bis(2,4,6-trimethylphenyl)siletane.

Molecular Properties

Compound Name1,1-bis(2,4,6-trimethylphenyl)siletane
PubChem CID71381101
Molecular FormulaC21H28Si
Molecular Weight308.54 g/mol
Exact Mass308.20
IUPAC Name1,1-bis(2,4,6-trimethylphenyl)siletane
SMILESCc1cc(C)c([Si]2(c3c(C)cc(C)cc3C)CCC2)c(C)c1
InChIInChI=1S/C21H28Si/c1-14-10-16(3)20(17(4)11-14)22(8-7-9-22)21-18(5)12-15(2)13-19(21)6/h10-13H,7-9H2,1-6H3
InChIKeyHFVPPWNGDBOLEW-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.54
LogP ≤ 54.50
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 1,1-bis(2,4,6-trimethylphenyl)siletane?
The IUPAC name of 1,1-bis(2,4,6-trimethylphenyl)siletane (CID 71381101) is 1,1-bis(2,4,6-trimethylphenyl)siletane.
What is the SMILES notation for 1,1-bis(2,4,6-trimethylphenyl)siletane?
The canonical SMILES for 1,1-bis(2,4,6-trimethylphenyl)siletane is Cc1cc(C)c([Si]2(c3c(C)cc(C)cc3C)CCC2)c(C)c1.
What is the InChIKey of 1,1-bis(2,4,6-trimethylphenyl)siletane?
The InChIKey is HFVPPWNGDBOLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28Si/c1-14-10-16(3)20(17(4)11-14)22(8-7-9-22)21-18(5)12-15(2)13-19(21)6/h10-13H,7-9H2,1-6H3.
What are the key properties of 1,1-bis(2,4,6-trimethylphenyl)siletane?
1,1-bis(2,4,6-trimethylphenyl)siletane has a molecular weight of 308.54 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2,4,6-trimethylphenyl)siletane is sourced from PubChem (CID 71381101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).