1-(iodomethyl)-2-methylcyclopentane

C7H13I — CID 13296846

IUPAC1-(iodomethyl)-2-methylcyclopentane
SMILESCC1CCCC1CI
InChIInChI=1S/C7H13I/c1-6-3-2-4-7(6)5-8/h6-7H,2-5H2,1H3
InChIKeyCBKQFFGXQHDJSB-UHFFFAOYSA-N
MW224.08 g/mol
LogP2.86
Rot. Bonds1

About 1-(iodomethyl)-2-methylcyclopentane

1-(iodomethyl)-2-methylcyclopentane (PubChem CID 13296846) has the molecular formula C7H13I and a molecular weight of 224.08 g/mol. Its IUPAC name is 1-(iodomethyl)-2-methylcyclopentane.

Molecular Properties

Compound Name1-(iodomethyl)-2-methylcyclopentane
PubChem CID13296846
Molecular FormulaC7H13I
Molecular Weight224.08 g/mol
Exact Mass224.01
IUPAC Name1-(iodomethyl)-2-methylcyclopentane
SMILESCC1CCCC1CI
InChIInChI=1S/C7H13I/c1-6-3-2-4-7(6)5-8/h6-7H,2-5H2,1H3
InChIKeyCBKQFFGXQHDJSB-UHFFFAOYSA-N
XLogP2.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.08
LogP ≤ 52.86
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

1-methyl-2-[(2-methylcyclopentyl)methyl]cyclopentane
CID 148598305
1-(chloromethyl)-2-methylcyclopentane
CID 13459403
1-(iodomethyl)-3-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 153063031
cis-(1S,2S)-1-ethyl-2-methylcyclohexane
CID 23620237
trans-(1S,2S)-1-(cyclopentylmethyl)-2-methylcyclopentane
CID 146946174
N,N-dimethyl-1-[(1S,2R)-2-methylcyclopentyl]methanamine
CID 167145219
carbanide;cyclopentane;ethane;1-ethyl-2-methylcyclopentane;iron(2+)
CID 162283607
trans-(1R,2S)-1-butyl-2-methylcyclopentane
CID 6427719
cis-(1S,2S)-1-(bromomethyl)-2-methylcyclohexane
CID 124509523
(2-methylcyclodecyl)methanamine
CID 163635360
ethane;trans-(1S,2R)-1-ethyl-2-methylcyclohexane
CID 143479638
2-(2-methylcyclopentyl)ethylcyclohexane
CID 134865391

Frequently Asked Questions

What is the IUPAC name of 1-(iodomethyl)-2-methylcyclopentane?
The IUPAC name of 1-(iodomethyl)-2-methylcyclopentane (CID 13296846) is 1-(iodomethyl)-2-methylcyclopentane.
What is the SMILES notation for 1-(iodomethyl)-2-methylcyclopentane?
The canonical SMILES for 1-(iodomethyl)-2-methylcyclopentane is CC1CCCC1CI.
What is the InChIKey of 1-(iodomethyl)-2-methylcyclopentane?
The InChIKey is CBKQFFGXQHDJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13I/c1-6-3-2-4-7(6)5-8/h6-7H,2-5H2,1H3.
What are the key properties of 1-(iodomethyl)-2-methylcyclopentane?
1-(iodomethyl)-2-methylcyclopentane has a molecular weight of 224.08 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(iodomethyl)-2-methylcyclopentane is sourced from PubChem (CID 13296846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).