CID 87335866

C9H22ClN2Si — CID 87335866

IUPAC
SMILESCCN(CC)[Si](CCl)N(CC)CC
InChIInChI=1S/C9H22ClN2Si/c1-5-11(6-2)13(9-10)12(7-3)8-4/h5-9H2,1-4H3
InChIKeyFQLWAZIKMFFHNK-UHFFFAOYSA-N
MW221.83 g/mol
LogP1.94
Rot. Bonds7

About CID 87335866

CID 87335866 (PubChem CID 87335866) has the molecular formula C9H22ClN2Si and a molecular weight of 221.83 g/mol.

Molecular Properties

Compound NameCID 87335866
PubChem CID87335866
Molecular FormulaC9H22ClN2Si
Molecular Weight221.83 g/mol
Exact Mass221.12
IUPAC Name
SMILESCCN(CC)[Si](CCl)N(CC)CC
InChIInChI=1S/C9H22ClN2Si/c1-5-11(6-2)13(9-10)12(7-3)8-4/h5-9H2,1-4H3
InChIKeyFQLWAZIKMFFHNK-UHFFFAOYSA-N
XLogP1.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.83
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 87335866?
The IUPAC name of CID 87335866 (CID 87335866) is not available.
What is the SMILES notation for CID 87335866?
The canonical SMILES for CID 87335866 is CCN(CC)[Si](CCl)N(CC)CC.
What is the InChIKey of CID 87335866?
The InChIKey is FQLWAZIKMFFHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22ClN2Si/c1-5-11(6-2)13(9-10)12(7-3)8-4/h5-9H2,1-4H3.
What are the key properties of CID 87335866?
CID 87335866 has a molecular weight of 221.83 g/mol, XLogP of 1.94, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87335866 is sourced from PubChem (CID 87335866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).