diiodo-octyl-phenoxysilane

C14H22I2OSi — CID 140744994

IUPACdiiodo-octyl-phenoxysilane
SMILESCCCCCCCC[Si](I)(I)Oc1ccccc1
InChIInChI=1S/C14H22I2OSi/c1-2-3-4-5-6-10-13-18(15,16)17-14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3
InChIKeyNJPBWASVZNGUJX-UHFFFAOYSA-N
MW488.22 g/mol
LogP6.23
Rot. Bonds9

About diiodo-octyl-phenoxysilane

diiodo-octyl-phenoxysilane (PubChem CID 140744994) has the molecular formula C14H22I2OSi and a molecular weight of 488.22 g/mol. Its IUPAC name is diiodo-octyl-phenoxysilane.

Molecular Properties

Compound Namediiodo-octyl-phenoxysilane
PubChem CID140744994
Molecular FormulaC14H22I2OSi
Molecular Weight488.22 g/mol
Exact Mass487.95
IUPAC Namediiodo-octyl-phenoxysilane
SMILESCCCCCCCC[Si](I)(I)Oc1ccccc1
InChIInChI=1S/C14H22I2OSi/c1-2-3-4-5-6-10-13-18(15,16)17-14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3
InChIKeyNJPBWASVZNGUJX-UHFFFAOYSA-N
XLogP6.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.22
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

Analyze diiodo-octyl-phenoxysilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butyl-diiodo-phenoxysilane
CID 140745005
butyl-iodo-methyl-phenoxysilane
CID 154487021
bromo-ethoxy-hexyl-phenoxysilane
CID 140745144
bromo-hexyl-phenoxy-propoxysilane
CID 140745083
iodo-methyl-octyl-phenylsilane
CID 154486879
chloro-hexyl-iodo-phenylsilane
CID 154486835
4-[diethyl(phenoxy)silyl]butyl-diethyl-phenoxysilane
CID 66773415
bis(decane);phenoxyphosphane
CID 91140487
pentoxybenzene;undecane
CID 174778179
heptadecyl(triphenyl)silane
CID 4520075
[dihexyl(phenyl)silyl]-dihexyl-phenylsilane
CID 12059876
chloro-methyl-octyl-phenylsilane
CID 66989770

Frequently Asked Questions

What is the IUPAC name of diiodo-octyl-phenoxysilane?
The IUPAC name of diiodo-octyl-phenoxysilane (CID 140744994) is diiodo-octyl-phenoxysilane.
What is the SMILES notation for diiodo-octyl-phenoxysilane?
The canonical SMILES for diiodo-octyl-phenoxysilane is CCCCCCCC[Si](I)(I)Oc1ccccc1.
What is the InChIKey of diiodo-octyl-phenoxysilane?
The InChIKey is NJPBWASVZNGUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22I2OSi/c1-2-3-4-5-6-10-13-18(15,16)17-14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3.
What are the key properties of diiodo-octyl-phenoxysilane?
diiodo-octyl-phenoxysilane has a molecular weight of 488.22 g/mol, XLogP of 6.23, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diiodo-octyl-phenoxysilane is sourced from PubChem (CID 140744994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).