CID 19690531

C23H32F3OSi — CID 19690531

IUPAC—
SMILESCCCCCCC[Si]1CCC(CC(O)C#Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C23H32F3OSi/c1-2-3-4-5-6-15-28-16-13-20(14-17-28)18-22(27)12-9-19-7-10-21(11-8-19)23(24,25)26/h7-8,10-11,20,22,27H,2-6,13-18H2,1H3
InChIKeyHJWJQIJWXCMKIV-UHFFFAOYSA-N
MW409.59 g/mol
LogP6.68
Rot. Bonds8

About CID 19690531

CID 19690531 (PubChem CID 19690531) has the molecular formula C23H32F3OSi and a molecular weight of 409.59 g/mol.

Molecular Properties

Compound NameCID 19690531
PubChem CID19690531
Molecular FormulaC23H32F3OSi
Molecular Weight409.59 g/mol
Exact Mass409.22
IUPAC Name—
SMILESCCCCCCC[Si]1CCC(CC(O)C#Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C23H32F3OSi/c1-2-3-4-5-6-15-28-16-13-20(14-17-28)18-22(27)12-9-19-7-10-21(11-8-19)23(24,25)26/h7-8,10-11,20,22,27H,2-6,13-18H2,1H3
InChIKeyHJWJQIJWXCMKIV-UHFFFAOYSA-N
XLogP6.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.59
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 19690531?
The IUPAC name of CID 19690531 (CID 19690531) is not available.
What is the SMILES notation for CID 19690531?
The canonical SMILES for CID 19690531 is CCCCCCC[Si]1CCC(CC(O)C#Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of CID 19690531?
The InChIKey is HJWJQIJWXCMKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32F3OSi/c1-2-3-4-5-6-15-28-16-13-20(14-17-28)18-22(27)12-9-19-7-10-21(11-8-19)23(24,25)26/h7-8,10-11,20,22,27H,2-6,13-18H2,1H3.
What are the key properties of CID 19690531?
CID 19690531 has a molecular weight of 409.59 g/mol, XLogP of 6.68, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19690531 is sourced from PubChem (CID 19690531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).