chloro-hexyl-iodo-phenylsilane

C12H18ClISi — CID 154486835

IUPACchloro-hexyl-iodo-phenylsilane
SMILESCCCCCC[Si](Cl)(I)c1ccccc1
InChIInChI=1S/C12H18ClISi/c1-2-3-4-8-11-15(13,14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3
InChIKeyOLEHAHRGZNSTMP-UHFFFAOYSA-N
MW352.72 g/mol
LogP4.59
Rot. Bonds6

About chloro-hexyl-iodo-phenylsilane

chloro-hexyl-iodo-phenylsilane (PubChem CID 154486835) has the molecular formula C12H18ClISi and a molecular weight of 352.72 g/mol. Its IUPAC name is chloro-hexyl-iodo-phenylsilane.

Molecular Properties

Compound Namechloro-hexyl-iodo-phenylsilane
PubChem CID154486835
Molecular FormulaC12H18ClISi
Molecular Weight352.72 g/mol
Exact Mass351.99
IUPAC Namechloro-hexyl-iodo-phenylsilane
SMILESCCCCCC[Si](Cl)(I)c1ccccc1
InChIInChI=1S/C12H18ClISi/c1-2-3-4-8-11-15(13,14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3
InChIKeyOLEHAHRGZNSTMP-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.72
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

dichloro-heptyl-phenylsilane
CID 101161411
iodo-methyl-octyl-phenylsilane
CID 154486879
chloro-methyl-octyl-phenylsilane
CID 66989770
[dihexyl(phenyl)silyl]-dihexyl-phenylsilane
CID 12059876
heptadecyl(triphenyl)silane
CID 4520075
icosyl-dimethyl-phenylsilane
CID 91054385
decyl-methyl-diphenylsilane
CID 15259590
dihexyl-methyl-phenylsilane
CID 71342172
diiodo-octyl-phenoxysilane
CID 140744994
dichloro(diphenyl)silane;octadecan-1-amine
CID 157092949
butyl(trichloro)silane;dichloro(diphenyl)silane
CID 67532832
chloro-phenyl-dipropylsilane
CID 57124380

Frequently Asked Questions

What is the IUPAC name of chloro-hexyl-iodo-phenylsilane?
The IUPAC name of chloro-hexyl-iodo-phenylsilane (CID 154486835) is chloro-hexyl-iodo-phenylsilane.
What is the SMILES notation for chloro-hexyl-iodo-phenylsilane?
The canonical SMILES for chloro-hexyl-iodo-phenylsilane is CCCCCC[Si](Cl)(I)c1ccccc1.
What is the InChIKey of chloro-hexyl-iodo-phenylsilane?
The InChIKey is OLEHAHRGZNSTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClISi/c1-2-3-4-8-11-15(13,14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3.
What are the key properties of chloro-hexyl-iodo-phenylsilane?
chloro-hexyl-iodo-phenylsilane has a molecular weight of 352.72 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-hexyl-iodo-phenylsilane is sourced from PubChem (CID 154486835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).