dimethyl-(2-methyl-1,3-diphenylpropan-2-yl)-λ3-iodane

C18H23I — CID 147576480

IUPACdimethyl-(2-methyl-1,3-diphenylpropan-2-yl)-λ3-iodane
SMILESCI(C)C(C)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H23I/c1-18(19(2)3,14-16-10-6-4-7-11-16)15-17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3
InChIKeyFVOOTGQXNDESDG-UHFFFAOYSA-N
MW366.29 g/mol
LogP5.00
Rot. Bonds5

About dimethyl-(2-methyl-1,3-diphenylpropan-2-yl)-λ3-iodane

dimethyl-(2-methyl-1,3-diphenylpropan-2-yl)-λ3-iodane (PubChem CID 147576480) has the molecular formula C18H23I and a molecular weight of 366.29 g/mol. Its IUPAC name is dimethyl-(2-methyl-1,3-diphenylpropan-2-yl)-λ3-iodane.

Molecular Properties

Compound Namedimethyl-(2-methyl-1,3-diphenylpropan-2-yl)-λ3-iodane
PubChem CID147576480
Molecular FormulaC18H23I
Molecular Weight366.29 g/mol
Exact Mass366.08
IUPAC Namedimethyl-(2-methyl-1,3-diphenylpropan-2-yl)-λ3-iodane
SMILESCI(C)C(C)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H23I/c1-18(19(2)3,14-16-10-6-4-7-11-16)15-17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3
InChIKeyFVOOTGQXNDESDG-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 55.00
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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Frequently Asked Questions

What is the IUPAC name of dimethyl-(2-methyl-1,3-diphenylpropan-2-yl)-λ3-iodane?
The IUPAC name of dimethyl-(2-methyl-1,3-diphenylpropan-2-yl)-λ3-iodane (CID 147576480) is dimethyl-(2-methyl-1,3-diphenylpropan-2-yl)-λ3-iodane.
What is the SMILES notation for dimethyl-(2-methyl-1,3-diphenylpropan-2-yl)-λ3-iodane?
The canonical SMILES for dimethyl-(2-methyl-1,3-diphenylpropan-2-yl)-λ3-iodane is CI(C)C(C)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of dimethyl-(2-methyl-1,3-diphenylpropan-2-yl)-λ3-iodane?
The InChIKey is FVOOTGQXNDESDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23I/c1-18(19(2)3,14-16-10-6-4-7-11-16)15-17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3.
What are the key properties of dimethyl-(2-methyl-1,3-diphenylpropan-2-yl)-λ3-iodane?
dimethyl-(2-methyl-1,3-diphenylpropan-2-yl)-λ3-iodane has a molecular weight of 366.29 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-methyl-1,3-diphenylpropan-2-yl)-λ3-iodane is sourced from PubChem (CID 147576480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).