CID 22373424

C24H31F2OSi — CID 22373424

IUPAC—
SMILESCCCCC[Si]1CCC(c2ccc(-c3ccc(OCC(F)F)cc3)cc2)CC1
InChIInChI=1S/C24H31F2OSi/c1-2-3-4-15-28-16-13-22(14-17-28)20-7-5-19(6-8-20)21-9-11-23(12-10-21)27-18-24(25)26/h5-12,22,24H,2-4,13-18H2,1H3
InChIKeyQDGDHMUKFMZCCI-UHFFFAOYSA-N
MW401.59 g/mol
LogP7.56
Rot. Bonds9

About CID 22373424

CID 22373424 (PubChem CID 22373424) has the molecular formula C24H31F2OSi and a molecular weight of 401.59 g/mol.

Molecular Properties

Compound NameCID 22373424
PubChem CID22373424
Molecular FormulaC24H31F2OSi
Molecular Weight401.59 g/mol
Exact Mass401.21
IUPAC Name—
SMILESCCCCC[Si]1CCC(c2ccc(-c3ccc(OCC(F)F)cc3)cc2)CC1
InChIInChI=1S/C24H31F2OSi/c1-2-3-4-15-28-16-13-22(14-17-28)20-7-5-19(6-8-20)21-9-11-23(12-10-21)27-18-24(25)26/h5-12,22,24H,2-4,13-18H2,1H3
InChIKeyQDGDHMUKFMZCCI-UHFFFAOYSA-N
XLogP7.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.59
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 22373424?
The IUPAC name of CID 22373424 (CID 22373424) is not available.
What is the SMILES notation for CID 22373424?
The canonical SMILES for CID 22373424 is CCCCC[Si]1CCC(c2ccc(-c3ccc(OCC(F)F)cc3)cc2)CC1.
What is the InChIKey of CID 22373424?
The InChIKey is QDGDHMUKFMZCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F2OSi/c1-2-3-4-15-28-16-13-22(14-17-28)20-7-5-19(6-8-20)21-9-11-23(12-10-21)27-18-24(25)26/h5-12,22,24H,2-4,13-18H2,1H3.
What are the key properties of CID 22373424?
CID 22373424 has a molecular weight of 401.59 g/mol, XLogP of 7.56, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22373424 is sourced from PubChem (CID 22373424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).