CID 22902598

C23H33F4OSi — CID 22902598

IUPAC—
SMILESCCCCC[Si]1CCC(C2(c3cc(F)c(OC(F)F)c(F)c3)CCCCC2)CC1
InChIInChI=1S/C23H33F4OSi/c1-2-3-7-12-29-13-8-17(9-14-29)23(10-5-4-6-11-23)18-15-19(24)21(20(25)16-18)28-22(26)27/h15-17,22H,2-14H2,1H3
InChIKeyJQSYWDXDOKKZHL-UHFFFAOYSA-N
MW429.59 g/mol
LogP7.86
Rot. Bonds8

About CID 22902598

CID 22902598 (PubChem CID 22902598) has the molecular formula C23H33F4OSi and a molecular weight of 429.59 g/mol.

Molecular Properties

Compound NameCID 22902598
PubChem CID22902598
Molecular FormulaC23H33F4OSi
Molecular Weight429.59 g/mol
Exact Mass429.22
IUPAC Name—
SMILESCCCCC[Si]1CCC(C2(c3cc(F)c(OC(F)F)c(F)c3)CCCCC2)CC1
InChIInChI=1S/C23H33F4OSi/c1-2-3-7-12-29-13-8-17(9-14-29)23(10-5-4-6-11-23)18-15-19(24)21(20(25)16-18)28-22(26)27/h15-17,22H,2-14H2,1H3
InChIKeyJQSYWDXDOKKZHL-UHFFFAOYSA-N
XLogP7.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.59
LogP ≤ 57.86
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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Frequently Asked Questions

What is the IUPAC name of CID 22902598?
The IUPAC name of CID 22902598 (CID 22902598) is not available.
What is the SMILES notation for CID 22902598?
The canonical SMILES for CID 22902598 is CCCCC[Si]1CCC(C2(c3cc(F)c(OC(F)F)c(F)c3)CCCCC2)CC1.
What is the InChIKey of CID 22902598?
The InChIKey is JQSYWDXDOKKZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33F4OSi/c1-2-3-7-12-29-13-8-17(9-14-29)23(10-5-4-6-11-23)18-15-19(24)21(20(25)16-18)28-22(26)27/h15-17,22H,2-14H2,1H3.
What are the key properties of CID 22902598?
CID 22902598 has a molecular weight of 429.59 g/mol, XLogP of 7.86, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22902598 is sourced from PubChem (CID 22902598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).