CID 11781880

C20H25OSi — CID 11781880

IUPAC—
SMILESC=C[C@H](C)[C@H](O[Si](c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C20H25OSi/c1-5-17(4)20(16(2)3)21-22(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h5-17,20H,1H2,2-4H3/t17-,20+/m0/s1
InChIKeyCIZKUQVTRUFRCT-FXAWDEMLSA-N
MW309.50 g/mol
LogP3.66
Rot. Bonds7

About CID 11781880

CID 11781880 (PubChem CID 11781880) has the molecular formula C20H25OSi and a molecular weight of 309.50 g/mol.

Molecular Properties

Compound NameCID 11781880
PubChem CID11781880
Molecular FormulaC20H25OSi
Molecular Weight309.50 g/mol
Exact Mass309.17
IUPAC Name—
SMILESC=C[C@H](C)[C@H](O[Si](c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C20H25OSi/c1-5-17(4)20(16(2)3)21-22(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h5-17,20H,1H2,2-4H3/t17-,20+/m0/s1
InChIKeyCIZKUQVTRUFRCT-FXAWDEMLSA-N
XLogP3.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 11781880?
The IUPAC name of CID 11781880 (CID 11781880) is not available.
What is the SMILES notation for CID 11781880?
The canonical SMILES for CID 11781880 is C=C[C@H](C)[C@H](O[Si](c1ccccc1)c1ccccc1)C(C)C.
What is the InChIKey of CID 11781880?
The InChIKey is CIZKUQVTRUFRCT-FXAWDEMLSA-N. The full InChI is InChI=1S/C20H25OSi/c1-5-17(4)20(16(2)3)21-22(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h5-17,20H,1H2,2-4H3/t17-,20+/m0/s1.
What are the key properties of CID 11781880?
CID 11781880 has a molecular weight of 309.50 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11781880 is sourced from PubChem (CID 11781880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).