[2-(3-ethylcyclopentyl)-2-methylheptyl]-(methyl-λ3-iodanylidene)-λ3-iodane

C16H32I2 — CID 163777933

IUPAC[2-(3-ethylcyclopentyl)-2-methylheptyl]-(methyl-λ3-iodanylidene)-λ3-iodane
SMILESCCCCCC(C)(C/I=I/C)C1CCC(CC)C1
InChIInChI=1S/C16H32I2/c1-5-7-8-11-16(3,13-18-17-4)15-10-9-14(6-2)12-15/h14-15H,5-13H2,1-4H3
InChIKeyMMCHHLRUPDYKBR-UHFFFAOYSA-N
MW478.24 g/mol
LogP6.89
Rot. Bonds8

About [2-(3-ethylcyclopentyl)-2-methylheptyl]-(methyl-λ3-iodanylidene)-λ3-iodane

[2-(3-ethylcyclopentyl)-2-methylheptyl]-(methyl-λ3-iodanylidene)-λ3-iodane (PubChem CID 163777933) has the molecular formula C16H32I2 and a molecular weight of 478.24 g/mol. Its IUPAC name is [2-(3-ethylcyclopentyl)-2-methylheptyl]-(methyl-λ3-iodanylidene)-λ3-iodane.

Molecular Properties

Compound Name[2-(3-ethylcyclopentyl)-2-methylheptyl]-(methyl-λ3-iodanylidene)-λ3-iodane
PubChem CID163777933
Molecular FormulaC16H32I2
Molecular Weight478.24 g/mol
Exact Mass478.06
IUPAC Name[2-(3-ethylcyclopentyl)-2-methylheptyl]-(methyl-λ3-iodanylidene)-λ3-iodane
SMILESCCCCCC(C)(C/I=I/C)C1CCC(CC)C1
InChIInChI=1S/C16H32I2/c1-5-7-8-11-16(3,13-18-17-4)15-10-9-14(6-2)12-15/h14-15H,5-13H2,1-4H3
InChIKeyMMCHHLRUPDYKBR-UHFFFAOYSA-N
XLogP6.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.24
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 [2-(3-ethylcyclopentyl)-2-methylheptyl]-(methyl-λ3-iodanylidene)-λ3-iodane?
The IUPAC name of [2-(3-ethylcyclopentyl)-2-methylheptyl]-(methyl-λ3-iodanylidene)-λ3-iodane (CID 163777933) is [2-(3-ethylcyclopentyl)-2-methylheptyl]-(methyl-λ3-iodanylidene)-λ3-iodane.
What is the SMILES notation for [2-(3-ethylcyclopentyl)-2-methylheptyl]-(methyl-λ3-iodanylidene)-λ3-iodane?
The canonical SMILES for [2-(3-ethylcyclopentyl)-2-methylheptyl]-(methyl-λ3-iodanylidene)-λ3-iodane is CCCCCC(C)(C/I=I/C)C1CCC(CC)C1.
What is the InChIKey of [2-(3-ethylcyclopentyl)-2-methylheptyl]-(methyl-λ3-iodanylidene)-λ3-iodane?
The InChIKey is MMCHHLRUPDYKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32I2/c1-5-7-8-11-16(3,13-18-17-4)15-10-9-14(6-2)12-15/h14-15H,5-13H2,1-4H3.
What are the key properties of [2-(3-ethylcyclopentyl)-2-methylheptyl]-(methyl-λ3-iodanylidene)-λ3-iodane?
[2-(3-ethylcyclopentyl)-2-methylheptyl]-(methyl-λ3-iodanylidene)-λ3-iodane has a molecular weight of 478.24 g/mol, XLogP of 6.89, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethylcyclopentyl)-2-methylheptyl]-(methyl-λ3-iodanylidene)-λ3-iodane is sourced from PubChem (CID 163777933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).