benzyl(tetramethyl)-λ5-iodane

C11H19I — CID 87575044

IUPACbenzyl(tetramethyl)-λ5-iodane
SMILESCI(C)(C)(C)Cc1ccccc1
InChIInChI=1S/C11H19I/c1-12(2,3,4)10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKeyINGDDIPFTVIYRL-UHFFFAOYSA-N
MW278.18 g/mol
LogP3.28
Rot. Bonds2

About benzyl(tetramethyl)-λ5-iodane

benzyl(tetramethyl)-λ5-iodane (PubChem CID 87575044) has the molecular formula C11H19I and a molecular weight of 278.18 g/mol. Its IUPAC name is benzyl(tetramethyl)-λ5-iodane.

Molecular Properties

Compound Namebenzyl(tetramethyl)-λ5-iodane
PubChem CID87575044
Molecular FormulaC11H19I
Molecular Weight278.18 g/mol
Exact Mass278.05
IUPAC Namebenzyl(tetramethyl)-λ5-iodane
SMILESCI(C)(C)(C)Cc1ccccc1
InChIInChI=1S/C11H19I/c1-12(2,3,4)10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKeyINGDDIPFTVIYRL-UHFFFAOYSA-N
XLogP3.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethylcyclodecapentaene
CID 90861705
benzene;2-phenylethylbenzene
CID 18982764
phenyl(113C)methylbenzene
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ethylbenzene;molybdenum
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sulfanium ethylbenzene
CID 22726309
1,4-dibenzylbenzene;ethane
CID 91406396
actinium;benzylazanide
CID 59036754
ethane;ethylbenzene
CID 90887003
ethane;methane;2-phenylethylbenzene
CID 158652330
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
methanol;phenylmethanol
CID 19822462
ethylbenzene;propane;hydroiodide
CID 142182216

Frequently Asked Questions

What is the IUPAC name of benzyl(tetramethyl)-λ5-iodane?
The IUPAC name of benzyl(tetramethyl)-λ5-iodane (CID 87575044) is benzyl(tetramethyl)-λ5-iodane.
What is the SMILES notation for benzyl(tetramethyl)-λ5-iodane?
The canonical SMILES for benzyl(tetramethyl)-λ5-iodane is CI(C)(C)(C)Cc1ccccc1.
What is the InChIKey of benzyl(tetramethyl)-λ5-iodane?
The InChIKey is INGDDIPFTVIYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19I/c1-12(2,3,4)10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3.
What are the key properties of benzyl(tetramethyl)-λ5-iodane?
benzyl(tetramethyl)-λ5-iodane has a molecular weight of 278.18 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(tetramethyl)-λ5-iodane is sourced from PubChem (CID 87575044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).