CID 54106542

C22H32F2Si — CID 54106542

IUPAC—
SMILESC[Si]CC1CCC(C2CCC(CCc3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C22H32F2Si/c1-25-15-18-6-11-20(12-7-18)19-9-4-16(5-10-19)2-3-17-8-13-21(23)22(24)14-17/h8,13-14,16,18-20H,2-7,9-12,15H2,1H3
InChIKeyKQJZZYOZCLBNIY-UHFFFAOYSA-N
MW362.58 g/mol
LogP6.68
Rot. Bonds6

About CID 54106542

CID 54106542 (PubChem CID 54106542) has the molecular formula C22H32F2Si and a molecular weight of 362.58 g/mol.

Molecular Properties

Compound NameCID 54106542
PubChem CID54106542
Molecular FormulaC22H32F2Si
Molecular Weight362.58 g/mol
Exact Mass362.22
IUPAC Name—
SMILESC[Si]CC1CCC(C2CCC(CCc3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C22H32F2Si/c1-25-15-18-6-11-20(12-7-18)19-9-4-16(5-10-19)2-3-17-8-13-21(23)22(24)14-17/h8,13-14,16,18-20H,2-7,9-12,15H2,1H3
InChIKeyKQJZZYOZCLBNIY-UHFFFAOYSA-N
XLogP6.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.58
LogP ≤ 56.68
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

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Frequently Asked Questions

What is the IUPAC name of CID 54106542?
The IUPAC name of CID 54106542 (CID 54106542) is not available.
What is the SMILES notation for CID 54106542?
The canonical SMILES for CID 54106542 is C[Si]CC1CCC(C2CCC(CCc3ccc(F)c(F)c3)CC2)CC1.
What is the InChIKey of CID 54106542?
The InChIKey is KQJZZYOZCLBNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32F2Si/c1-25-15-18-6-11-20(12-7-18)19-9-4-16(5-10-19)2-3-17-8-13-21(23)22(24)14-17/h8,13-14,16,18-20H,2-7,9-12,15H2,1H3.
What are the key properties of CID 54106542?
CID 54106542 has a molecular weight of 362.58 g/mol, XLogP of 6.68, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54106542 is sourced from PubChem (CID 54106542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).