CID 19593831

C25H30F5OSi — CID 19593831

IUPAC—
SMILESCCCCC[Si]1CCC(c2ccc(-c3ccc(OCC(F)(F)C(F)F)c(F)c3)cc2)CC1
InChIInChI=1S/C25H30F5OSi/c1-2-3-4-13-32-14-11-20(12-15-32)18-5-7-19(8-6-18)21-9-10-23(22(26)16-21)31-17-25(29,30)24(27)28/h5-10,16,20,24H,2-4,11-15,17H2,1H3
InChIKeyMTMMGKRUKMIWPV-UHFFFAOYSA-N
MW469.59 g/mol
LogP8.33
Rot. Bonds10

About CID 19593831

CID 19593831 (PubChem CID 19593831) has the molecular formula C25H30F5OSi and a molecular weight of 469.59 g/mol.

Molecular Properties

Compound NameCID 19593831
PubChem CID19593831
Molecular FormulaC25H30F5OSi
Molecular Weight469.59 g/mol
Exact Mass469.20
IUPAC Name—
SMILESCCCCC[Si]1CCC(c2ccc(-c3ccc(OCC(F)(F)C(F)F)c(F)c3)cc2)CC1
InChIInChI=1S/C25H30F5OSi/c1-2-3-4-13-32-14-11-20(12-15-32)18-5-7-19(8-6-18)21-9-10-23(22(26)16-21)31-17-25(29,30)24(27)28/h5-10,16,20,24H,2-4,11-15,17H2,1H3
InChIKeyMTMMGKRUKMIWPV-UHFFFAOYSA-N
XLogP8.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.59
LogP ≤ 58.33
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 19609431
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Frequently Asked Questions

What is the IUPAC name of CID 19593831?
The IUPAC name of CID 19593831 (CID 19593831) is not available.
What is the SMILES notation for CID 19593831?
The canonical SMILES for CID 19593831 is CCCCC[Si]1CCC(c2ccc(-c3ccc(OCC(F)(F)C(F)F)c(F)c3)cc2)CC1.
What is the InChIKey of CID 19593831?
The InChIKey is MTMMGKRUKMIWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F5OSi/c1-2-3-4-13-32-14-11-20(12-15-32)18-5-7-19(8-6-18)21-9-10-23(22(26)16-21)31-17-25(29,30)24(27)28/h5-10,16,20,24H,2-4,11-15,17H2,1H3.
What are the key properties of CID 19593831?
CID 19593831 has a molecular weight of 469.59 g/mol, XLogP of 8.33, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19593831 is sourced from PubChem (CID 19593831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).