CID 22340565

C24H28O4Si — CID 22340565

IUPAC—
SMILESC1CC[Si]OC1.C=Cc1ccc(O)cc1.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C8H8O.2C6H6O.C4H8OSi/c1-2-7-3-5-8(9)6-4-7;2*7-6-4-2-1-3-5-6;1-2-4-6-5-3-1/h2-6,9H,1H2;2*1-5,7H;1-4H2
InChIKeyTXAPGGSELAPFBD-UHFFFAOYSA-N
MW408.57 g/mol
LogP5.65
Rot. Bonds1

About CID 22340565

CID 22340565 (PubChem CID 22340565) has the molecular formula C24H28O4Si and a molecular weight of 408.57 g/mol.

Molecular Properties

Compound NameCID 22340565
PubChem CID22340565
Molecular FormulaC24H28O4Si
Molecular Weight408.57 g/mol
Exact Mass408.18
IUPAC Name—
SMILESC1CC[Si]OC1.C=Cc1ccc(O)cc1.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C8H8O.2C6H6O.C4H8OSi/c1-2-7-3-5-8(9)6-4-7;2*7-6-4-2-1-3-5-6;1-2-4-6-5-3-1/h2-6,9H,1H2;2*1-5,7H;1-4H2
InChIKeyTXAPGGSELAPFBD-UHFFFAOYSA-N
XLogP5.65
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.57
LogP ≤ 55.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 22340565?
The IUPAC name of CID 22340565 (CID 22340565) is not available.
What is the SMILES notation for CID 22340565?
The canonical SMILES for CID 22340565 is C1CC[Si]OC1.C=Cc1ccc(O)cc1.Oc1ccccc1.Oc1ccccc1.
What is the InChIKey of CID 22340565?
The InChIKey is TXAPGGSELAPFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O.2C6H6O.C4H8OSi/c1-2-7-3-5-8(9)6-4-7;2*7-6-4-2-1-3-5-6;1-2-4-6-5-3-1/h2-6,9H,1H2;2*1-5,7H;1-4H2.
What are the key properties of CID 22340565?
CID 22340565 has a molecular weight of 408.57 g/mol, XLogP of 5.65, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22340565 is sourced from PubChem (CID 22340565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).