CID 67821106

C24H31F3NO4Si — CID 67821106

IUPAC—
SMILESC[Si](C)OCc1c(C(C)(C)C)ccn([C@@H]2c3cc(C(F)(F)F)ccc3OC(C)(C)[C@H]2O)c1=O
InChIInChI=1S/C24H31F3NO4Si/c1-22(2,3)17-10-11-28(21(30)16(17)13-31-33(6)7)19-15-12-14(24(25,26)27)8-9-18(15)32-23(4,5)20(19)29/h8-12,19-20,29H,13H2,1-7H3/t19-,20+/m1/s1
InChIKeyLSWQSSQZPSCUQA-UXHICEINSA-N
MW482.60 g/mol
LogP5.05
Rot. Bonds4

About CID 67821106

CID 67821106 (PubChem CID 67821106) has the molecular formula C24H31F3NO4Si and a molecular weight of 482.60 g/mol.

Molecular Properties

Compound NameCID 67821106
PubChem CID67821106
Molecular FormulaC24H31F3NO4Si
Molecular Weight482.60 g/mol
Exact Mass482.20
IUPAC Name—
SMILESC[Si](C)OCc1c(C(C)(C)C)ccn([C@@H]2c3cc(C(F)(F)F)ccc3OC(C)(C)[C@H]2O)c1=O
InChIInChI=1S/C24H31F3NO4Si/c1-22(2,3)17-10-11-28(21(30)16(17)13-31-33(6)7)19-15-12-14(24(25,26)27)8-9-18(15)32-23(4,5)20(19)29/h8-12,19-20,29H,13H2,1-7H3/t19-,20+/m1/s1
InChIKeyLSWQSSQZPSCUQA-UXHICEINSA-N
XLogP5.05
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.60
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 67821106?
The IUPAC name of CID 67821106 (CID 67821106) is not available.
What is the SMILES notation for CID 67821106?
The canonical SMILES for CID 67821106 is C[Si](C)OCc1c(C(C)(C)C)ccn([C@@H]2c3cc(C(F)(F)F)ccc3OC(C)(C)[C@H]2O)c1=O.
What is the InChIKey of CID 67821106?
The InChIKey is LSWQSSQZPSCUQA-UXHICEINSA-N. The full InChI is InChI=1S/C24H31F3NO4Si/c1-22(2,3)17-10-11-28(21(30)16(17)13-31-33(6)7)19-15-12-14(24(25,26)27)8-9-18(15)32-23(4,5)20(19)29/h8-12,19-20,29H,13H2,1-7H3/t19-,20+/m1/s1.
What are the key properties of CID 67821106?
CID 67821106 has a molecular weight of 482.60 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67821106 is sourced from PubChem (CID 67821106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).