1,3-diiodo-2-methylcyclohexane

C7H12I2 — CID 146238386

IUPAC1,3-diiodo-2-methylcyclohexane
SMILESCC1C(I)CCCC1I
InChIInChI=1S/C7H12I2/c1-5-6(8)3-2-4-7(5)9/h5-7H,2-4H2,1H3
InChIKeyMUGUQTDTHFKBCT-UHFFFAOYSA-N
MW349.98 g/mol
LogP3.41
Rot. Bonds

About 1,3-diiodo-2-methylcyclohexane

1,3-diiodo-2-methylcyclohexane (PubChem CID 146238386) has the molecular formula C7H12I2 and a molecular weight of 349.98 g/mol. Its IUPAC name is 1,3-diiodo-2-methylcyclohexane.

Molecular Properties

Compound Name1,3-diiodo-2-methylcyclohexane
PubChem CID146238386
Molecular FormulaC7H12I2
Molecular Weight349.98 g/mol
Exact Mass349.90
IUPAC Name1,3-diiodo-2-methylcyclohexane
SMILESCC1C(I)CCCC1I
InChIInChI=1S/C7H12I2/c1-5-6(8)3-2-4-7(5)9/h5-7H,2-4H2,1H3
InChIKeyMUGUQTDTHFKBCT-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.98
LogP ≤ 53.41
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-iodo-2-methylcyclohexane
CID 527569
cis-(1S,2R)-2-iodocyclopentan-1-amine
CID 90228959
1,2-diiodo-3-methylcyclopentane
CID 149209200
bis(cis-(1R,3S)-1,2,3-trimethylcyclohexane);ethane;trans-(1R,3R)-1,2,3-trimethylcyclohexane;trans-(1S,3S)-1,2,3-trimethylcyclohexane
CID 159423261
cis-(1S,3R)-1,2,3-trimethylcyclohexane;ethane;methane
CID 142244795
(2S,6S)-2,6-dimethylpiperidin-1-ium
CID 6560360
cyclooctane;methylcyclobutane
CID 159456217
1,5,9,13,17,21-hexamethylcyclotetracosane
CID 164675975
cyclobutane;cyclopropane;methylcyclobutane
CID 157419563
1,2,3-triiodocyclopentane
CID 122583562
1-bromo-2,3-diiodocycloheptane
CID 122583573
4-iodo-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene
CID 70595713

Frequently Asked Questions

What is the IUPAC name of 1,3-diiodo-2-methylcyclohexane?
The IUPAC name of 1,3-diiodo-2-methylcyclohexane (CID 146238386) is 1,3-diiodo-2-methylcyclohexane.
What is the SMILES notation for 1,3-diiodo-2-methylcyclohexane?
The canonical SMILES for 1,3-diiodo-2-methylcyclohexane is CC1C(I)CCCC1I.
What is the InChIKey of 1,3-diiodo-2-methylcyclohexane?
The InChIKey is MUGUQTDTHFKBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12I2/c1-5-6(8)3-2-4-7(5)9/h5-7H,2-4H2,1H3.
What are the key properties of 1,3-diiodo-2-methylcyclohexane?
1,3-diiodo-2-methylcyclohexane has a molecular weight of 349.98 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diiodo-2-methylcyclohexane is sourced from PubChem (CID 146238386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).