1-iodo-2-methylcyclohexene

C7H11I — CID 521002

IUPAC1-iodo-2-methylcyclohexene
SMILESCC1=C(I)CCCC1
InChIInChI=1S/C7H11I/c1-6-4-2-3-5-7(6)8/h2-5H2,1H3
InChIKeyYPYNZJFLYQQPLF-UHFFFAOYSA-N
MW222.07 g/mol
LogP3.27
Rot. Bonds

About 1-iodo-2-methylcyclohexene

1-iodo-2-methylcyclohexene (PubChem CID 521002) has the molecular formula C7H11I and a molecular weight of 222.07 g/mol. Its IUPAC name is 1-iodo-2-methylcyclohexene.

Molecular Properties

Compound Name1-iodo-2-methylcyclohexene
PubChem CID521002
Molecular FormulaC7H11I
Molecular Weight222.07 g/mol
Exact Mass221.99
IUPAC Name1-iodo-2-methylcyclohexene
SMILESCC1=C(I)CCCC1
InChIInChI=1S/C7H11I/c1-6-4-2-3-5-7(6)8/h2-5H2,1H3
InChIKeyYPYNZJFLYQQPLF-UHFFFAOYSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.07
LogP ≤ 53.27
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 1-iodo-2-methylcyclohexene?
The IUPAC name of 1-iodo-2-methylcyclohexene (CID 521002) is 1-iodo-2-methylcyclohexene.
What is the SMILES notation for 1-iodo-2-methylcyclohexene?
The canonical SMILES for 1-iodo-2-methylcyclohexene is CC1=C(I)CCCC1.
What is the InChIKey of 1-iodo-2-methylcyclohexene?
The InChIKey is YPYNZJFLYQQPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11I/c1-6-4-2-3-5-7(6)8/h2-5H2,1H3.
What are the key properties of 1-iodo-2-methylcyclohexene?
1-iodo-2-methylcyclohexene has a molecular weight of 222.07 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-methylcyclohexene is sourced from PubChem (CID 521002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).