CID 134898373

C13H18CrO3Sn — CID 134898373

IUPAC—
SMILESC[Sn](C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH]1C=CC=CCC1.[Cr]
InChIInChI=1S/C7H9.3CO.3CH3.Cr.Sn/c1-2-4-6-7-5-3-1;3*1-2;;;;;/h1-5H,6-7H2;;;;3*1H3;;
InChIKeyPSEGROXFIZUJHF-UHFFFAOYSA-N
MW392.99 g/mol
LogP3.35
Rot. Bonds

About CID 134898373

CID 134898373 (PubChem CID 134898373) has the molecular formula C13H18CrO3Sn and a molecular weight of 392.99 g/mol.

Molecular Properties

Compound NameCID 134898373
PubChem CID134898373
Molecular FormulaC13H18CrO3Sn
Molecular Weight392.99 g/mol
Exact Mass393.97
IUPAC Name—
SMILESC[Sn](C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH]1C=CC=CCC1.[Cr]
InChIInChI=1S/C7H9.3CO.3CH3.Cr.Sn/c1-2-4-6-7-5-3-1;3*1-2;;;;;/h1-5H,6-7H2;;;;3*1H3;;
InChIKeyPSEGROXFIZUJHF-UHFFFAOYSA-N
XLogP3.35
TPSA59.70 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.99
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134898373?
The IUPAC name of CID 134898373 (CID 134898373) is not available.
What is the SMILES notation for CID 134898373?
The canonical SMILES for CID 134898373 is C[Sn](C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH]1C=CC=CCC1.[Cr].
What is the InChIKey of CID 134898373?
The InChIKey is PSEGROXFIZUJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9.3CO.3CH3.Cr.Sn/c1-2-4-6-7-5-3-1;3*1-2;;;;;/h1-5H,6-7H2;;;;3*1H3;;.
What are the key properties of CID 134898373?
CID 134898373 has a molecular weight of 392.99 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134898373 is sourced from PubChem (CID 134898373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).