1-iodoethylidenecyclohexane

C8H13I — CID 13268581

IUPAC1-iodoethylidenecyclohexane
SMILESCC(I)=C1CCCCC1
InChIInChI=1S/C8H13I/c1-7(9)8-5-3-2-4-6-8/h2-6H2,1H3
InChIKeyMRLHFJHYNQVNPU-UHFFFAOYSA-N
MW236.10 g/mol
LogP3.66
Rot. Bonds

About 1-iodoethylidenecyclohexane

1-iodoethylidenecyclohexane (PubChem CID 13268581) has the molecular formula C8H13I and a molecular weight of 236.10 g/mol. Its IUPAC name is 1-iodoethylidenecyclohexane.

Molecular Properties

Compound Name1-iodoethylidenecyclohexane
PubChem CID13268581
Molecular FormulaC8H13I
Molecular Weight236.10 g/mol
Exact Mass236.01
IUPAC Name1-iodoethylidenecyclohexane
SMILESCC(I)=C1CCCCC1
InChIInChI=1S/C8H13I/c1-7(9)8-5-3-2-4-6-8/h2-6H2,1H3
InChIKeyMRLHFJHYNQVNPU-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexane, (1-methylethylidene)-
CID 138578
1-Iodo-2-methylcyclohexene
CID 521002
(1,2-Diiodo-3-methylbut-2-enylidene)cyclohexane
CID 13234787
1-Iodo-2-methylcyclopentene
CID 13999300
4-Iodo-5-(2-iodoethyl)oct-4-ene
CID 73118559
3-Ethyl-4-iodohex-3-ene
CID 86173719
(6R)-2-ethyl-4-fluoro-3,6-dimethyl-1lambda3-iodacyclohexa-1,3-diene
CID 143551142
(1Z,2Z)-1,2-bis(1-iodobutylidene)cyclohexane
CID 11270713
Butan-2-ylidenecyclohexane
CID 4455749
Hexan-2-ylidenecyclohexane
CID 12841284
Ethylidenecyclohexane;yttrium
CID 58399068
1-Ethylidene-4-iodocyclohexane
CID 68311130

Frequently Asked Questions

What is the IUPAC name of 1-iodoethylidenecyclohexane?
The IUPAC name of 1-iodoethylidenecyclohexane (CID 13268581) is 1-iodoethylidenecyclohexane.
What is the SMILES notation for 1-iodoethylidenecyclohexane?
The canonical SMILES for 1-iodoethylidenecyclohexane is CC(I)=C1CCCCC1.
What is the InChIKey of 1-iodoethylidenecyclohexane?
The InChIKey is MRLHFJHYNQVNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13I/c1-7(9)8-5-3-2-4-6-8/h2-6H2,1H3.
What are the key properties of 1-iodoethylidenecyclohexane?
1-iodoethylidenecyclohexane has a molecular weight of 236.10 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodoethylidenecyclohexane is sourced from PubChem (CID 13268581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).