CID 45050109

C18H10Cl5Si — CID 45050109

IUPAC—
SMILESClc1c(Cl)c(Cl)c([Si](c2ccccc2)c2ccccc2)c(Cl)c1Cl
InChIInChI=1S/C18H10Cl5Si/c19-13-14(20)16(22)18(17(23)15(13)21)24(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyJMWKBVPUCAWYKC-UHFFFAOYSA-N
MW431.63 g/mol
LogP5.47
Rot. Bonds3

About CID 45050109

CID 45050109 (PubChem CID 45050109) has the molecular formula C18H10Cl5Si and a molecular weight of 431.63 g/mol.

Molecular Properties

Compound NameCID 45050109
PubChem CID45050109
Molecular FormulaC18H10Cl5Si
Molecular Weight431.63 g/mol
Exact Mass428.90
IUPAC Name—
SMILESClc1c(Cl)c(Cl)c([Si](c2ccccc2)c2ccccc2)c(Cl)c1Cl
InChIInChI=1S/C18H10Cl5Si/c19-13-14(20)16(22)18(17(23)15(13)21)24(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyJMWKBVPUCAWYKC-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.63
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 45050109?
The IUPAC name of CID 45050109 (CID 45050109) is not available.
What is the SMILES notation for CID 45050109?
The canonical SMILES for CID 45050109 is Clc1c(Cl)c(Cl)c([Si](c2ccccc2)c2ccccc2)c(Cl)c1Cl.
What is the InChIKey of CID 45050109?
The InChIKey is JMWKBVPUCAWYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl5Si/c19-13-14(20)16(22)18(17(23)15(13)21)24(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H.
What are the key properties of CID 45050109?
CID 45050109 has a molecular weight of 431.63 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 45050109 is sourced from PubChem (CID 45050109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).