CID 59483201

C25H32BFO4Si — CID 59483201

IUPAC—
SMILES[B][C@@H]1O[C@@](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)(C(F)C=C)[C@@H](OC)[C@H]1O
InChIInChI=1S/C25H32BFO4Si/c1-6-20(27)25(22(29-5)21(28)23(26)31-25)17-30-32(24(2,3)4,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h6-16,20-23,28H,1,17H2,2-5H3/t20?,21-,22+,23-,25+/m1/s1
InChIKeyKOFLNYCWHJITGO-CJQSNXSWSA-N
MW454.42 g/mol
LogP2.73
Rot. Bonds8

About CID 59483201

CID 59483201 (PubChem CID 59483201) has the molecular formula C25H32BFO4Si and a molecular weight of 454.42 g/mol.

Molecular Properties

Compound NameCID 59483201
PubChem CID59483201
Molecular FormulaC25H32BFO4Si
Molecular Weight454.42 g/mol
Exact Mass454.21
IUPAC Name—
SMILES[B][C@@H]1O[C@@](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)(C(F)C=C)[C@@H](OC)[C@H]1O
InChIInChI=1S/C25H32BFO4Si/c1-6-20(27)25(22(29-5)21(28)23(26)31-25)17-30-32(24(2,3)4,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h6-16,20-23,28H,1,17H2,2-5H3/t20?,21-,22+,23-,25+/m1/s1
InChIKeyKOFLNYCWHJITGO-CJQSNXSWSA-N
XLogP2.73
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59483201?
The IUPAC name of CID 59483201 (CID 59483201) is not available.
What is the SMILES notation for CID 59483201?
The canonical SMILES for CID 59483201 is [B][C@@H]1O[C@@](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)(C(F)C=C)[C@@H](OC)[C@H]1O.
What is the InChIKey of CID 59483201?
The InChIKey is KOFLNYCWHJITGO-CJQSNXSWSA-N. The full InChI is InChI=1S/C25H32BFO4Si/c1-6-20(27)25(22(29-5)21(28)23(26)31-25)17-30-32(24(2,3)4,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h6-16,20-23,28H,1,17H2,2-5H3/t20?,21-,22+,23-,25+/m1/s1.
What are the key properties of CID 59483201?
CID 59483201 has a molecular weight of 454.42 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59483201 is sourced from PubChem (CID 59483201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).