butyl-diiodo-phenoxysilane

C10H14I2OSi — CID 140745005

IUPACbutyl-diiodo-phenoxysilane
SMILESCCCC[Si](I)(I)Oc1ccccc1
InChIInChI=1S/C10H14I2OSi/c1-2-3-9-14(11,12)13-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKeyLUAOLTJANWPDDY-UHFFFAOYSA-N
MW432.12 g/mol
LogP4.67
Rot. Bonds5

About butyl-diiodo-phenoxysilane

butyl-diiodo-phenoxysilane (PubChem CID 140745005) has the molecular formula C10H14I2OSi and a molecular weight of 432.12 g/mol. Its IUPAC name is butyl-diiodo-phenoxysilane.

Molecular Properties

Compound Namebutyl-diiodo-phenoxysilane
PubChem CID140745005
Molecular FormulaC10H14I2OSi
Molecular Weight432.12 g/mol
Exact Mass431.89
IUPAC Namebutyl-diiodo-phenoxysilane
SMILESCCCC[Si](I)(I)Oc1ccccc1
InChIInChI=1S/C10H14I2OSi/c1-2-3-9-14(11,12)13-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKeyLUAOLTJANWPDDY-UHFFFAOYSA-N
XLogP4.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.12
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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

diiodo-octyl-phenoxysilane
CID 140744994
butyl-iodo-methyl-phenoxysilane
CID 154487021
ethyl-diphenoxy-propylsilane
CID 140623858
4-[diethyl(phenoxy)silyl]butyl-diethyl-phenoxysilane
CID 66773415
phenoxy-diphenyl-propylsilane
CID 66773867
bromo-ethoxy-hexyl-phenoxysilane
CID 140745144
bromo-hexyl-phenoxy-propoxysilane
CID 140745083
butyl-dimethoxy-phenylsilane
CID 66773516
pentoxybenzene;undecane
CID 174778179
ethyl-[[ethyl(diphenoxy)silyl]methyl]-diphenoxysilane
CID 66773814
bis(decane);phenoxyphosphane
CID 91140487
iodo-methyl-octyl-phenylsilane
CID 154486879

Frequently Asked Questions

What is the IUPAC name of butyl-diiodo-phenoxysilane?
The IUPAC name of butyl-diiodo-phenoxysilane (CID 140745005) is butyl-diiodo-phenoxysilane.
What is the SMILES notation for butyl-diiodo-phenoxysilane?
The canonical SMILES for butyl-diiodo-phenoxysilane is CCCC[Si](I)(I)Oc1ccccc1.
What is the InChIKey of butyl-diiodo-phenoxysilane?
The InChIKey is LUAOLTJANWPDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14I2OSi/c1-2-3-9-14(11,12)13-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3.
What are the key properties of butyl-diiodo-phenoxysilane?
butyl-diiodo-phenoxysilane has a molecular weight of 432.12 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-diiodo-phenoxysilane is sourced from PubChem (CID 140745005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).