1-iodo-2-(6-iodohex-1-ynyl)cyclohexene

C12H16I2 — CID 24767062

IUPAC1-iodo-2-(6-iodohex-1-ynyl)cyclohexene
SMILESICCCCC#CC1=C(I)CCCC1
InChIInChI=1S/C12H16I2/c13-10-6-2-1-3-7-11-8-4-5-9-12(11)14/h1-2,4-6,8-10H2
InChIKeyOGUUCFUFDJUGTJ-UHFFFAOYSA-N
MW414.07 g/mol
LogP4.86
Rot. Bonds3

About 1-iodo-2-(6-iodohex-1-ynyl)cyclohexene

1-iodo-2-(6-iodohex-1-ynyl)cyclohexene (PubChem CID 24767062) has the molecular formula C12H16I2 and a molecular weight of 414.07 g/mol. Its IUPAC name is 1-iodo-2-(6-iodohex-1-ynyl)cyclohexene.

Molecular Properties

Compound Name1-iodo-2-(6-iodohex-1-ynyl)cyclohexene
PubChem CID24767062
Molecular FormulaC12H16I2
Molecular Weight414.07 g/mol
Exact Mass413.93
IUPAC Name1-iodo-2-(6-iodohex-1-ynyl)cyclohexene
SMILESICCCCC#CC1=C(I)CCCC1
InChIInChI=1S/C12H16I2/c13-10-6-2-1-3-7-11-8-4-5-9-12(11)14/h1-2,4-6,8-10H2
InChIKeyOGUUCFUFDJUGTJ-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.07
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Iodoethynyl)cyclohexene
CID 10988113
1,2-Bis(2-iodoethynyl)cyclohexene
CID 101906425
(Z)-6-iodo-5-(2-iodoethyl)dodec-5-en-7-yne
CID 10718132
1-(2-(123I)iodoethynyl)cyclohexene
CID 11390534
1-(6-Iodohex-1-ynyl)cyclohexene
CID 14430055
1-Hex-1-ynyl-2-iodocyclohexene
CID 24767170
Lithium 1-(6-iodohex-1-ynyl)cyclohexene
CID 24767172
6-Ethyl-5-iodohexadec-5-en-7-yne
CID 71425484
1-(5-Iodopent-1-ynyl)cyclohexene
CID 121218022

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-(6-iodohex-1-ynyl)cyclohexene?
The IUPAC name of 1-iodo-2-(6-iodohex-1-ynyl)cyclohexene (CID 24767062) is 1-iodo-2-(6-iodohex-1-ynyl)cyclohexene.
What is the SMILES notation for 1-iodo-2-(6-iodohex-1-ynyl)cyclohexene?
The canonical SMILES for 1-iodo-2-(6-iodohex-1-ynyl)cyclohexene is ICCCCC#CC1=C(I)CCCC1.
What is the InChIKey of 1-iodo-2-(6-iodohex-1-ynyl)cyclohexene?
The InChIKey is OGUUCFUFDJUGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16I2/c13-10-6-2-1-3-7-11-8-4-5-9-12(11)14/h1-2,4-6,8-10H2.
What are the key properties of 1-iodo-2-(6-iodohex-1-ynyl)cyclohexene?
1-iodo-2-(6-iodohex-1-ynyl)cyclohexene has a molecular weight of 414.07 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-(6-iodohex-1-ynyl)cyclohexene is sourced from PubChem (CID 24767062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).