CID 59483178

C25H32BFO3Si — CID 59483178

IUPAC—
SMILES[B][C@@H]1O[C@@]2(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C(F)C(C)[C@H]1[C@@H]2OC
InChIInChI=1S/C25H32BFO3Si/c1-17-20-22(28-5)25(21(17)27,30-23(20)26)16-29-31(24(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20-23H,16H2,1-5H3/t17?,20-,21?,22-,23+,25-/m0/s1
InChIKeyKLZRTHSCKNLJSS-IZISNEIDSA-N
MW438.42 g/mol
LogP3.45
Rot. Bonds6

About CID 59483178

CID 59483178 (PubChem CID 59483178) has the molecular formula C25H32BFO3Si and a molecular weight of 438.42 g/mol.

Molecular Properties

Compound NameCID 59483178
PubChem CID59483178
Molecular FormulaC25H32BFO3Si
Molecular Weight438.42 g/mol
Exact Mass438.22
IUPAC Name—
SMILES[B][C@@H]1O[C@@]2(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C(F)C(C)[C@H]1[C@@H]2OC
InChIInChI=1S/C25H32BFO3Si/c1-17-20-22(28-5)25(21(17)27,30-23(20)26)16-29-31(24(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20-23H,16H2,1-5H3/t17?,20-,21?,22-,23+,25-/m0/s1
InChIKeyKLZRTHSCKNLJSS-IZISNEIDSA-N
XLogP3.45
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.42
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 59483178?
The IUPAC name of CID 59483178 (CID 59483178) is not available.
What is the SMILES notation for CID 59483178?
The canonical SMILES for CID 59483178 is [B][C@@H]1O[C@@]2(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C(F)C(C)[C@H]1[C@@H]2OC.
What is the InChIKey of CID 59483178?
The InChIKey is KLZRTHSCKNLJSS-IZISNEIDSA-N. The full InChI is InChI=1S/C25H32BFO3Si/c1-17-20-22(28-5)25(21(17)27,30-23(20)26)16-29-31(24(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20-23H,16H2,1-5H3/t17?,20-,21?,22-,23+,25-/m0/s1.
What are the key properties of CID 59483178?
CID 59483178 has a molecular weight of 438.42 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59483178 is sourced from PubChem (CID 59483178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).