CID 59510583

C8H9ClSi — CID 59510583

IUPAC—
SMILESC[Si]c1ccc(CCl)cc1
InChIInChI=1S/C8H9ClSi/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3
InChIKeyLYBOSYBISMRJIR-UHFFFAOYSA-N
MW168.70 g/mol
LogP1.80
Rot. Bonds2

About CID 59510583

CID 59510583 (PubChem CID 59510583) has the molecular formula C8H9ClSi and a molecular weight of 168.70 g/mol.

Molecular Properties

Compound NameCID 59510583
PubChem CID59510583
Molecular FormulaC8H9ClSi
Molecular Weight168.70 g/mol
Exact Mass168.02
IUPAC Name—
SMILESC[Si]c1ccc(CCl)cc1
InChIInChI=1S/C8H9ClSi/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3
InChIKeyLYBOSYBISMRJIR-UHFFFAOYSA-N
XLogP1.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.70
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 141305174
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CID 158538625
1,2-bis[4-(chloromethyl)phenoxy]benzene
CID 54463677
1-(chloromethyl)-4-[(4-methylphenyl)methyl]benzene
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[4-(chloromethyl)phenyl]methylphosphane
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Frequently Asked Questions

What is the IUPAC name of CID 59510583?
The IUPAC name of CID 59510583 (CID 59510583) is not available.
What is the SMILES notation for CID 59510583?
The canonical SMILES for CID 59510583 is C[Si]c1ccc(CCl)cc1.
What is the InChIKey of CID 59510583?
The InChIKey is LYBOSYBISMRJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClSi/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3.
What are the key properties of CID 59510583?
CID 59510583 has a molecular weight of 168.70 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59510583 is sourced from PubChem (CID 59510583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).