CID 58704504

C24H28Si — CID 58704504

IUPAC—
SMILESC=C[Si]c1ccccc1C12CC3C4CC5(C)CC36CC(C5)(C4C1)C6C2
InChIInChI=1S/C24H28Si/c1-3-25-19-7-5-4-6-16(19)22-9-17-15-8-21(2)12-23(17)14-24(13-21,18(15)10-22)20(23)11-22/h3-7,15,17-18,20H,1,8-14H2,2H3
InChIKeyWDLWLXXVENNDBH-UHFFFAOYSA-N
MW344.57 g/mol
LogP4.65
Rot. Bonds3

About CID 58704504

CID 58704504 (PubChem CID 58704504) has the molecular formula C24H28Si and a molecular weight of 344.57 g/mol.

Molecular Properties

Compound NameCID 58704504
PubChem CID58704504
Molecular FormulaC24H28Si
Molecular Weight344.57 g/mol
Exact Mass344.20
IUPAC Name—
SMILESC=C[Si]c1ccccc1C12CC3C4CC5(C)CC36CC(C5)(C4C1)C6C2
InChIInChI=1S/C24H28Si/c1-3-25-19-7-5-4-6-16(19)22-9-17-15-8-21(2)12-23(17)14-24(13-21,18(15)10-22)20(23)11-22/h3-7,15,17-18,20H,1,8-14H2,2H3
InChIKeyWDLWLXXVENNDBH-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 58704504?
The IUPAC name of CID 58704504 (CID 58704504) is not available.
What is the SMILES notation for CID 58704504?
The canonical SMILES for CID 58704504 is C=C[Si]c1ccccc1C12CC3C4CC5(C)CC36CC(C5)(C4C1)C6C2.
What is the InChIKey of CID 58704504?
The InChIKey is WDLWLXXVENNDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Si/c1-3-25-19-7-5-4-6-16(19)22-9-17-15-8-21(2)12-23(17)14-24(13-21,18(15)10-22)20(23)11-22/h3-7,15,17-18,20H,1,8-14H2,2H3.
What are the key properties of CID 58704504?
CID 58704504 has a molecular weight of 344.57 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58704504 is sourced from PubChem (CID 58704504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).