2,3-bis(2-iodobutan-2-yl)-1,1-dimethylcyclopentane

C15H28I2 — CID 139396447

IUPAC2,3-bis(2-iodobutan-2-yl)-1,1-dimethylcyclopentane
SMILESCCC(C)(I)C1CCC(C)(C)C1C(C)(I)CC
InChIInChI=1S/C15H28I2/c1-7-14(5,16)11-9-10-13(3,4)12(11)15(6,17)8-2/h11-12H,7-10H2,1-6H3
InChIKeyFGZZREFTAWVXFO-UHFFFAOYSA-N
MW462.20 g/mol
LogP6.25
Rot. Bonds4

About 2,3-bis(2-iodobutan-2-yl)-1,1-dimethylcyclopentane

2,3-bis(2-iodobutan-2-yl)-1,1-dimethylcyclopentane (PubChem CID 139396447) has the molecular formula C15H28I2 and a molecular weight of 462.20 g/mol. Its IUPAC name is 2,3-bis(2-iodobutan-2-yl)-1,1-dimethylcyclopentane.

Molecular Properties

Compound Name2,3-bis(2-iodobutan-2-yl)-1,1-dimethylcyclopentane
PubChem CID139396447
Molecular FormulaC15H28I2
Molecular Weight462.20 g/mol
Exact Mass462.03
IUPAC Name2,3-bis(2-iodobutan-2-yl)-1,1-dimethylcyclopentane
SMILESCCC(C)(I)C1CCC(C)(C)C1C(C)(I)CC
InChIInChI=1S/C15H28I2/c1-7-14(5,16)11-9-10-13(3,4)12(11)15(6,17)8-2/h11-12H,7-10H2,1-6H3
InChIKeyFGZZREFTAWVXFO-UHFFFAOYSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.20
LogP ≤ 56.25
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 2,3-bis(2-iodobutan-2-yl)-1,1-dimethylcyclopentane?
The IUPAC name of 2,3-bis(2-iodobutan-2-yl)-1,1-dimethylcyclopentane (CID 139396447) is 2,3-bis(2-iodobutan-2-yl)-1,1-dimethylcyclopentane.
What is the SMILES notation for 2,3-bis(2-iodobutan-2-yl)-1,1-dimethylcyclopentane?
The canonical SMILES for 2,3-bis(2-iodobutan-2-yl)-1,1-dimethylcyclopentane is CCC(C)(I)C1CCC(C)(C)C1C(C)(I)CC.
What is the InChIKey of 2,3-bis(2-iodobutan-2-yl)-1,1-dimethylcyclopentane?
The InChIKey is FGZZREFTAWVXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28I2/c1-7-14(5,16)11-9-10-13(3,4)12(11)15(6,17)8-2/h11-12H,7-10H2,1-6H3.
What are the key properties of 2,3-bis(2-iodobutan-2-yl)-1,1-dimethylcyclopentane?
2,3-bis(2-iodobutan-2-yl)-1,1-dimethylcyclopentane has a molecular weight of 462.20 g/mol, XLogP of 6.25, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(2-iodobutan-2-yl)-1,1-dimethylcyclopentane is sourced from PubChem (CID 139396447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).