CID 173162612

C25H31ScSi — CID 173162612

IUPAC—
SMILESCCc1cc2ccccc2[cH-]1.CCc1cc2ccccc2[cH-]1.C[Si]C.[CH3-].[Sc+3]
InChIInChI=1S/2C11H11.C2H6Si.CH3.Sc/c2*1-2-9-7-10-5-3-4-6-11(10)8-9;1-3-2;;/h2*3-8H,2H2,1H3;1-2H3;1H3;/q2*-1;;-1;+3
InChIKeyFOMQDYZIDJJUGO-UHFFFAOYSA-N
MW404.57 g/mol
LogP7.48
Rot. Bonds2

About CID 173162612

CID 173162612 (PubChem CID 173162612) has the molecular formula C25H31ScSi and a molecular weight of 404.57 g/mol.

Molecular Properties

Compound NameCID 173162612
PubChem CID173162612
Molecular FormulaC25H31ScSi
Molecular Weight404.57 g/mol
Exact Mass404.18
IUPAC Name—
SMILESCCc1cc2ccccc2[cH-]1.CCc1cc2ccccc2[cH-]1.C[Si]C.[CH3-].[Sc+3]
InChIInChI=1S/2C11H11.C2H6Si.CH3.Sc/c2*1-2-9-7-10-5-3-4-6-11(10)8-9;1-3-2;;/h2*3-8H,2H2,1H3;1-2H3;1H3;/q2*-1;;-1;+3
InChIKeyFOMQDYZIDJJUGO-UHFFFAOYSA-N
XLogP7.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.57
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 173162612?
The IUPAC name of CID 173162612 (CID 173162612) is not available.
What is the SMILES notation for CID 173162612?
The canonical SMILES for CID 173162612 is CCc1cc2ccccc2[cH-]1.CCc1cc2ccccc2[cH-]1.C[Si]C.[CH3-].[Sc+3].
What is the InChIKey of CID 173162612?
The InChIKey is FOMQDYZIDJJUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H11.C2H6Si.CH3.Sc/c2*1-2-9-7-10-5-3-4-6-11(10)8-9;1-3-2;;/h2*3-8H,2H2,1H3;1-2H3;1H3;/q2*-1;;-1;+3.
What are the key properties of CID 173162612?
CID 173162612 has a molecular weight of 404.57 g/mol, XLogP of 7.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173162612 is sourced from PubChem (CID 173162612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).