CID 87815916

C18H11Cl2Si — CID 87815916

IUPAC—
SMILESCl[Si](Cl)c1cccc2ccc3cc4ccccc4cc3c12
InChIInChI=1S/C18H11Cl2Si/c19-21(20)17-7-3-6-12-8-9-15-10-13-4-1-2-5-14(13)11-16(15)18(12)17/h1-11H
InChIKeyJHWGUIMJUPXTHW-UHFFFAOYSA-N
MW326.28 g/mol
LogP5.32
Rot. Bonds1

About CID 87815916

CID 87815916 (PubChem CID 87815916) has the molecular formula C18H11Cl2Si and a molecular weight of 326.28 g/mol.

Molecular Properties

Compound NameCID 87815916
PubChem CID87815916
Molecular FormulaC18H11Cl2Si
Molecular Weight326.28 g/mol
Exact Mass325.00
IUPAC Name—
SMILESCl[Si](Cl)c1cccc2ccc3cc4ccccc4cc3c12
InChIInChI=1S/C18H11Cl2Si/c19-21(20)17-7-3-6-12-8-9-15-10-13-4-1-2-5-14(13)11-16(15)18(12)17/h1-11H
InChIKeyJHWGUIMJUPXTHW-UHFFFAOYSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.28
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

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heptacyclo[16.12.0.02,11.03,8.012,17.021,30.023,28]triaconta-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25,27,29-pentadecaene
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CID 163686062

Frequently Asked Questions

What is the IUPAC name of CID 87815916?
The IUPAC name of CID 87815916 (CID 87815916) is not available.
What is the SMILES notation for CID 87815916?
The canonical SMILES for CID 87815916 is Cl[Si](Cl)c1cccc2ccc3cc4ccccc4cc3c12.
What is the InChIKey of CID 87815916?
The InChIKey is JHWGUIMJUPXTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2Si/c19-21(20)17-7-3-6-12-8-9-15-10-13-4-1-2-5-14(13)11-16(15)18(12)17/h1-11H.
What are the key properties of CID 87815916?
CID 87815916 has a molecular weight of 326.28 g/mol, XLogP of 5.32, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87815916 is sourced from PubChem (CID 87815916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).