3-ethyl-6-iodocyclohexene

C8H13I — CID 143978325

IUPAC3-ethyl-6-iodocyclohexene
SMILESCCC1C=CC(I)CC1
InChIInChI=1S/C8H13I/c1-2-7-3-5-8(9)6-4-7/h3,5,7-8H,2,4,6H2,1H3
InChIKeyRZORFOKYPPSXFD-UHFFFAOYSA-N
MW236.10 g/mol
LogP3.17
Rot. Bonds1

About 3-ethyl-6-iodocyclohexene

3-ethyl-6-iodocyclohexene (PubChem CID 143978325) has the molecular formula C8H13I and a molecular weight of 236.10 g/mol. Its IUPAC name is 3-ethyl-6-iodocyclohexene.

Molecular Properties

Compound Name3-ethyl-6-iodocyclohexene
PubChem CID143978325
Molecular FormulaC8H13I
Molecular Weight236.10 g/mol
Exact Mass236.01
IUPAC Name3-ethyl-6-iodocyclohexene
SMILESCCC1C=CC(I)CC1
InChIInChI=1S/C8H13I/c1-2-7-3-5-8(9)6-4-7/h3,5,7-8H,2,4,6H2,1H3
InChIKeyRZORFOKYPPSXFD-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.10
LogP ≤ 53.17
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'}

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Related Compounds

ethane;(3R)-3-ethylcyclopentene
CID 145484001
(1Z)-3-ethylcyclooctene
CID 12870206
3-propyl-6-[2-(4-propylcyclohexyl)ethyl]cyclohexene
CID 123149803
(1R,4R)-4-ethylcyclopent-2-en-1-ol
CID 12026726
3,3,6-triethylcyclohexene
CID 154134813
6-ethyl-3,4-dimethylcyclohexene
CID 123723236
4-ethylbicyclo[4.1.0]hept-2-ene
CID 23283002
3-(5-methylhexan-2-yl)-6-propylcyclohexene
CID 123606448
4-ethylcyclohex-2-en-1-imine
CID 123411281
1-(4-propylcyclohex-2-en-1-yl)ethanone
CID 89128614
4-[2-(4-ethylcyclohexyl)ethyl]cyclohex-2-en-1-amine
CID 143331042
(1S,4S)-4-propylcyclohex-2-ene-1-carboxylic acid
CID 71352376

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-iodocyclohexene?
The IUPAC name of 3-ethyl-6-iodocyclohexene (CID 143978325) is 3-ethyl-6-iodocyclohexene.
What is the SMILES notation for 3-ethyl-6-iodocyclohexene?
The canonical SMILES for 3-ethyl-6-iodocyclohexene is CCC1C=CC(I)CC1.
What is the InChIKey of 3-ethyl-6-iodocyclohexene?
The InChIKey is RZORFOKYPPSXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13I/c1-2-7-3-5-8(9)6-4-7/h3,5,7-8H,2,4,6H2,1H3.
What are the key properties of 3-ethyl-6-iodocyclohexene?
3-ethyl-6-iodocyclohexene has a molecular weight of 236.10 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-iodocyclohexene is sourced from PubChem (CID 143978325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).