1-iodo-1,2,2-trimethylcyclopentane

C8H15I — CID 70443095

IUPAC1-iodo-1,2,2-trimethylcyclopentane
SMILESCC1(C)CCCC1(C)I
InChIInChI=1S/C8H15I/c1-7(2)5-4-6-8(7,3)9/h4-6H2,1-3H3
InChIKeyJQVHRUFIFZSQMI-UHFFFAOYSA-N
MW238.11 g/mol
LogP3.39
Rot. Bonds

About 1-iodo-1,2,2-trimethylcyclopentane

1-iodo-1,2,2-trimethylcyclopentane (PubChem CID 70443095) has the molecular formula C8H15I and a molecular weight of 238.11 g/mol. Its IUPAC name is 1-iodo-1,2,2-trimethylcyclopentane.

Molecular Properties

Compound Name1-iodo-1,2,2-trimethylcyclopentane
PubChem CID70443095
Molecular FormulaC8H15I
Molecular Weight238.11 g/mol
Exact Mass238.02
IUPAC Name1-iodo-1,2,2-trimethylcyclopentane
SMILESCC1(C)CCCC1(C)I
InChIInChI=1S/C8H15I/c1-7(2)5-4-6-8(7,3)9/h4-6H2,1-3H3
InChIKeyJQVHRUFIFZSQMI-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.11
LogP ≤ 53.39
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

ethane;methane;1,1,2,2-tetramethylcyclohexane
CID 144894499
1,1-dimethylcyclobutane;vanadium
CID 158712416
2,2,3,3-tetramethylcyclohexane-1,1-diamine
CID 18624315
1,2,2,6,6-pentamethylpiperidine
CID 6603
(1,2,2-trimethylcyclopentyl)methanol
CID 12003447
(3aR,7aR)-3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-indene
CID 160715479
1,1-dimethylcyclobutane;1,1-dimethylcyclopentane;1,1-dimethylcyclopropane
CID 158949227
(1-methylcyclobutyl)-λ2-stannane
CID 174698454
1,2,2,6,6-pentamethylpiperidine iodide
CID 5315073
1,1,2,2,5,5-hexamethylcyclononane
CID 123180504
(1R,5S)-1,5-dimethyl-6,7,8-trioxabicyclo[3.2.1]octane
CID 11819178
1-[(1R)-1,2,2-trimethylcyclopentyl]ethanone
CID 45086010

Frequently Asked Questions

What is the IUPAC name of 1-iodo-1,2,2-trimethylcyclopentane?
The IUPAC name of 1-iodo-1,2,2-trimethylcyclopentane (CID 70443095) is 1-iodo-1,2,2-trimethylcyclopentane.
What is the SMILES notation for 1-iodo-1,2,2-trimethylcyclopentane?
The canonical SMILES for 1-iodo-1,2,2-trimethylcyclopentane is CC1(C)CCCC1(C)I.
What is the InChIKey of 1-iodo-1,2,2-trimethylcyclopentane?
The InChIKey is JQVHRUFIFZSQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15I/c1-7(2)5-4-6-8(7,3)9/h4-6H2,1-3H3.
What are the key properties of 1-iodo-1,2,2-trimethylcyclopentane?
1-iodo-1,2,2-trimethylcyclopentane has a molecular weight of 238.11 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-1,2,2-trimethylcyclopentane is sourced from PubChem (CID 70443095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).