CID 59483008

C26H35BO4Si — CID 59483008

IUPAC—
SMILES[B][C@@H]1O[C@@](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)(C(C)C=C)[C@@H](OC)[C@H]1O
InChIInChI=1S/C26H35BO4Si/c1-7-19(2)26(23(29-6)22(28)24(27)31-26)18-30-32(25(3,4)5,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h7-17,19,22-24,28H,1,18H2,2-6H3/t19?,22-,23+,24-,26+/m1/s1
InChIKeyJRNZAWSYTWEHMY-KALZSKHSSA-N
MW450.46 g/mol
LogP3.02
Rot. Bonds8

About CID 59483008

CID 59483008 (PubChem CID 59483008) has the molecular formula C26H35BO4Si and a molecular weight of 450.46 g/mol.

Molecular Properties

Compound NameCID 59483008
PubChem CID59483008
Molecular FormulaC26H35BO4Si
Molecular Weight450.46 g/mol
Exact Mass450.24
IUPAC Name—
SMILES[B][C@@H]1O[C@@](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)(C(C)C=C)[C@@H](OC)[C@H]1O
InChIInChI=1S/C26H35BO4Si/c1-7-19(2)26(23(29-6)22(28)24(27)31-26)18-30-32(25(3,4)5,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h7-17,19,22-24,28H,1,18H2,2-6H3/t19?,22-,23+,24-,26+/m1/s1
InChIKeyJRNZAWSYTWEHMY-KALZSKHSSA-N
XLogP3.02
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.46
LogP ≤ 53.02
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 59483008?
The IUPAC name of CID 59483008 (CID 59483008) is not available.
What is the SMILES notation for CID 59483008?
The canonical SMILES for CID 59483008 is [B][C@@H]1O[C@@](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)(C(C)C=C)[C@@H](OC)[C@H]1O.
What is the InChIKey of CID 59483008?
The InChIKey is JRNZAWSYTWEHMY-KALZSKHSSA-N. The full InChI is InChI=1S/C26H35BO4Si/c1-7-19(2)26(23(29-6)22(28)24(27)31-26)18-30-32(25(3,4)5,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h7-17,19,22-24,28H,1,18H2,2-6H3/t19?,22-,23+,24-,26+/m1/s1.
What are the key properties of CID 59483008?
CID 59483008 has a molecular weight of 450.46 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59483008 is sourced from PubChem (CID 59483008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).