2-iodo-1,3-dimethylcyclohexene

C8H13I — CID 11831408

IUPAC2-iodo-1,3-dimethylcyclohexene
SMILESCC1=C(I)C(C)CCC1
InChIInChI=1S/C8H13I/c1-6-4-3-5-7(2)8(6)9/h6H,3-5H2,1-2H3
InChIKeyGWEKRFKMKSKCIF-UHFFFAOYSA-N
MW236.10 g/mol
LogP3.52
Rot. Bonds

About 2-iodo-1,3-dimethylcyclohexene

2-iodo-1,3-dimethylcyclohexene (PubChem CID 11831408) has the molecular formula C8H13I and a molecular weight of 236.10 g/mol. Its IUPAC name is 2-iodo-1,3-dimethylcyclohexene.

Molecular Properties

Compound Name2-iodo-1,3-dimethylcyclohexene
PubChem CID11831408
Molecular FormulaC8H13I
Molecular Weight236.10 g/mol
Exact Mass236.01
IUPAC Name2-iodo-1,3-dimethylcyclohexene
SMILESCC1=C(I)C(C)CCC1
InChIInChI=1S/C8H13I/c1-6-4-3-5-7(2)8(6)9/h6H,3-5H2,1-2H3
InChIKeyGWEKRFKMKSKCIF-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.10
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-1,3-dimethylcyclohexene?
The IUPAC name of 2-iodo-1,3-dimethylcyclohexene (CID 11831408) is 2-iodo-1,3-dimethylcyclohexene.
What is the SMILES notation for 2-iodo-1,3-dimethylcyclohexene?
The canonical SMILES for 2-iodo-1,3-dimethylcyclohexene is CC1=C(I)C(C)CCC1.
What is the InChIKey of 2-iodo-1,3-dimethylcyclohexene?
The InChIKey is GWEKRFKMKSKCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13I/c1-6-4-3-5-7(2)8(6)9/h6H,3-5H2,1-2H3.
What are the key properties of 2-iodo-1,3-dimethylcyclohexene?
2-iodo-1,3-dimethylcyclohexene has a molecular weight of 236.10 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1,3-dimethylcyclohexene is sourced from PubChem (CID 11831408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).