CID 59638519

C24H29O3SiU- — CID 59638519

IUPAC—
SMILESC=C1C[C@@]2(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O[CH-][C@@H]1[C@@H]2O.[U]
InChIInChI=1S/C24H29O3Si.U/c1-18-15-24(22(25)21(18)16-26-24)17-27-28(23(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20;/h5-14,16,21-22,25H,1,15,17H2,2-4H3;/q-1;/t21-,22-,24-;/m0./s1
InChIKeyRZRMLYQXUKZZGP-GPRFMRHGSA-N
MW631.61 g/mol
LogP3.43
Rot. Bonds5

About CID 59638519

CID 59638519 (PubChem CID 59638519) has the molecular formula C24H29O3SiU- and a molecular weight of 631.61 g/mol.

Molecular Properties

Compound NameCID 59638519
PubChem CID59638519
Molecular FormulaC24H29O3SiU-
Molecular Weight631.61 g/mol
Exact Mass631.24
IUPAC Name—
SMILESC=C1C[C@@]2(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O[CH-][C@@H]1[C@@H]2O.[U]
InChIInChI=1S/C24H29O3Si.U/c1-18-15-24(22(25)21(18)16-26-24)17-27-28(23(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20;/h5-14,16,21-22,25H,1,15,17H2,2-4H3;/q-1;/t21-,22-,24-;/m0./s1
InChIKeyRZRMLYQXUKZZGP-GPRFMRHGSA-N
XLogP3.43
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500631.61
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 59638519?
The IUPAC name of CID 59638519 (CID 59638519) is not available.
What is the SMILES notation for CID 59638519?
The canonical SMILES for CID 59638519 is C=C1C[C@@]2(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O[CH-][C@@H]1[C@@H]2O.[U].
What is the InChIKey of CID 59638519?
The InChIKey is RZRMLYQXUKZZGP-GPRFMRHGSA-N. The full InChI is InChI=1S/C24H29O3Si.U/c1-18-15-24(22(25)21(18)16-26-24)17-27-28(23(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20;/h5-14,16,21-22,25H,1,15,17H2,2-4H3;/q-1;/t21-,22-,24-;/m0./s1.
What are the key properties of CID 59638519?
CID 59638519 has a molecular weight of 631.61 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59638519 is sourced from PubChem (CID 59638519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).