1-iodo-2-methylidenecyclohexane

C7H11I — CID 91466429

IUPAC1-iodo-2-methylidenecyclohexane
SMILESC=C1CCCCC1I
InChIInChI=1S/C7H11I/c1-6-4-2-3-5-7(6)8/h7H,1-5H2
InChIKeySPFPMCVVUUDYKP-UHFFFAOYSA-N
MW222.07 g/mol
LogP2.92
Rot. Bonds

About 1-iodo-2-methylidenecyclohexane

1-iodo-2-methylidenecyclohexane (PubChem CID 91466429) has the molecular formula C7H11I and a molecular weight of 222.07 g/mol. Its IUPAC name is 1-iodo-2-methylidenecyclohexane.

Molecular Properties

Compound Name1-iodo-2-methylidenecyclohexane
PubChem CID91466429
Molecular FormulaC7H11I
Molecular Weight222.07 g/mol
Exact Mass221.99
IUPAC Name1-iodo-2-methylidenecyclohexane
SMILESC=C1CCCCC1I
InChIInChI=1S/C7H11I/c1-6-4-2-3-5-7(6)8/h7H,1-5H2
InChIKeySPFPMCVVUUDYKP-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-iodo-2-methylidenecyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-iodo-2-methylidenecyclopentane
CID 147335853
2-iodocyclohexan-1-one
CID 10878790
(2R)-1-methylidene-2-propylcyclohexane
CID 134991246
magnesium;1-bromo-2-methylidenecyclohexane;hydride
CID 173091720
(2-methylidenecyclohexyl)hydrazine
CID 131080783
(1R)-N-chloro-2-methylidenecyclohexan-1-amine
CID 89023498
2-methylidenecyclohexane-1-carboxylic acid
CID 14111060
1-isocyanato-2-methylidenecyclohexane
CID 19437273
2-(2-methylidenecyclohexyl)acetaldehyde
CID 11344057
2-ethyl-3-methylidenecycloheptan-1-ol
CID 71439619
1-butan-2-yl-2-methylidenecyclohexane
CID 123953044
2-(2-methylidenecyclohexyl)oxyethanol
CID 91281973

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-methylidenecyclohexane?
The IUPAC name of 1-iodo-2-methylidenecyclohexane (CID 91466429) is 1-iodo-2-methylidenecyclohexane.
What is the SMILES notation for 1-iodo-2-methylidenecyclohexane?
The canonical SMILES for 1-iodo-2-methylidenecyclohexane is C=C1CCCCC1I.
What is the InChIKey of 1-iodo-2-methylidenecyclohexane?
The InChIKey is SPFPMCVVUUDYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11I/c1-6-4-2-3-5-7(6)8/h7H,1-5H2.
What are the key properties of 1-iodo-2-methylidenecyclohexane?
1-iodo-2-methylidenecyclohexane has a molecular weight of 222.07 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-methylidenecyclohexane is sourced from PubChem (CID 91466429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).