CID 67091808

C21H29F3O2Si — CID 67091808

IUPAC—
SMILESCC(C)(C)[Si]OC(C)(C)c1cc(C(F)(F)F)ccc1C(=O)C1CCCCC1
InChIInChI=1S/C21H29F3O2Si/c1-19(2,3)27-26-20(4,5)17-13-15(21(22,23)24)11-12-16(17)18(25)14-9-7-6-8-10-14/h11-14H,6-10H2,1-5H3
InChIKeyQSUFYXOSIFOFHX-UHFFFAOYSA-N
MW398.54 g/mol
LogP6.56
Rot. Bonds5

About CID 67091808

CID 67091808 (PubChem CID 67091808) has the molecular formula C21H29F3O2Si and a molecular weight of 398.54 g/mol.

Molecular Properties

Compound NameCID 67091808
PubChem CID67091808
Molecular FormulaC21H29F3O2Si
Molecular Weight398.54 g/mol
Exact Mass398.19
IUPAC Name—
SMILESCC(C)(C)[Si]OC(C)(C)c1cc(C(F)(F)F)ccc1C(=O)C1CCCCC1
InChIInChI=1S/C21H29F3O2Si/c1-19(2,3)27-26-20(4,5)17-13-15(21(22,23)24)11-12-16(17)18(25)14-9-7-6-8-10-14/h11-14H,6-10H2,1-5H3
InChIKeyQSUFYXOSIFOFHX-UHFFFAOYSA-N
XLogP6.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.54
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 67091808?
The IUPAC name of CID 67091808 (CID 67091808) is not available.
What is the SMILES notation for CID 67091808?
The canonical SMILES for CID 67091808 is CC(C)(C)[Si]OC(C)(C)c1cc(C(F)(F)F)ccc1C(=O)C1CCCCC1.
What is the InChIKey of CID 67091808?
The InChIKey is QSUFYXOSIFOFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29F3O2Si/c1-19(2,3)27-26-20(4,5)17-13-15(21(22,23)24)11-12-16(17)18(25)14-9-7-6-8-10-14/h11-14H,6-10H2,1-5H3.
What are the key properties of CID 67091808?
CID 67091808 has a molecular weight of 398.54 g/mol, XLogP of 6.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67091808 is sourced from PubChem (CID 67091808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).