CID 66989915

C21H19OSi — CID 66989915

IUPAC—
SMILESCc1ccccc1-c1cccc(CO[Si])c1-c1ccccc1C
InChIInChI=1S/C21H19OSi/c1-15-8-3-5-11-18(15)20-13-7-10-17(14-22-23)21(20)19-12-6-4-9-16(19)2/h3-13H,14H2,1-2H3
InChIKeyHYSBCTBPHDHLED-UHFFFAOYSA-N
MW315.47 g/mol
LogP5.24
Rot. Bonds4

About CID 66989915

CID 66989915 (PubChem CID 66989915) has the molecular formula C21H19OSi and a molecular weight of 315.47 g/mol.

Molecular Properties

Compound NameCID 66989915
PubChem CID66989915
Molecular FormulaC21H19OSi
Molecular Weight315.47 g/mol
Exact Mass315.12
IUPAC Name—
SMILESCc1ccccc1-c1cccc(CO[Si])c1-c1ccccc1C
InChIInChI=1S/C21H19OSi/c1-15-8-3-5-11-18(15)20-13-7-10-17(14-22-23)21(20)19-12-6-4-9-16(19)2/h3-13H,14H2,1-2H3
InChIKeyHYSBCTBPHDHLED-UHFFFAOYSA-N
XLogP5.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.47
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 66989915?
The IUPAC name of CID 66989915 (CID 66989915) is not available.
What is the SMILES notation for CID 66989915?
The canonical SMILES for CID 66989915 is Cc1ccccc1-c1cccc(CO[Si])c1-c1ccccc1C.
What is the InChIKey of CID 66989915?
The InChIKey is HYSBCTBPHDHLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19OSi/c1-15-8-3-5-11-18(15)20-13-7-10-17(14-22-23)21(20)19-12-6-4-9-16(19)2/h3-13H,14H2,1-2H3.
What are the key properties of CID 66989915?
CID 66989915 has a molecular weight of 315.47 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66989915 is sourced from PubChem (CID 66989915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).