CID 175604529

C8H11OSi — CID 175604529

IUPAC
SMILESCOc1ccc(C[SiH2])cc1
InChIInChI=1S/C8H11OSi/c1-9-8-4-2-7(6-10)3-5-8/h2-5H,6,10H2,1H3
InChIKeyLSIMTYZUVPILOF-UHFFFAOYSA-N
MW151.26 g/mol
LogP0.83
Rot. Bonds2

About CID 175604529

CID 175604529 (PubChem CID 175604529) has the molecular formula C8H11OSi and a molecular weight of 151.26 g/mol.

Molecular Properties

Compound NameCID 175604529
PubChem CID175604529
Molecular FormulaC8H11OSi
Molecular Weight151.26 g/mol
Exact Mass151.06
IUPAC Name
SMILESCOc1ccc(C[SiH2])cc1
InChIInChI=1S/C8H11OSi/c1-9-8-4-2-7(6-10)3-5-8/h2-5H,6,10H2,1H3
InChIKeyLSIMTYZUVPILOF-UHFFFAOYSA-N
XLogP0.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.26
LogP ≤ 50.83
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 175604529?
The IUPAC name of CID 175604529 (CID 175604529) is not available.
What is the SMILES notation for CID 175604529?
The canonical SMILES for CID 175604529 is COc1ccc(C[SiH2])cc1.
What is the InChIKey of CID 175604529?
The InChIKey is LSIMTYZUVPILOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11OSi/c1-9-8-4-2-7(6-10)3-5-8/h2-5H,6,10H2,1H3.
What are the key properties of CID 175604529?
CID 175604529 has a molecular weight of 151.26 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175604529 is sourced from PubChem (CID 175604529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).