1-hex-1-ynyl-2-iodocyclohexene

C12H17I — CID 24767170

IUPAC1-hex-1-ynyl-2-iodocyclohexene
SMILESCCCCC#CC1=C(I)CCCC1
InChIInChI=1S/C12H17I/c1-2-3-4-5-8-11-9-6-7-10-12(11)13/h2-4,6-7,9-10H2,1H3
InChIKeyQHPYYXWPIOUCPA-UHFFFAOYSA-N
MW288.17 g/mol
LogP4.44
Rot. Bonds2

About 1-hex-1-ynyl-2-iodocyclohexene

1-hex-1-ynyl-2-iodocyclohexene (PubChem CID 24767170) has the molecular formula C12H17I and a molecular weight of 288.17 g/mol. Its IUPAC name is 1-hex-1-ynyl-2-iodocyclohexene.

Molecular Properties

Compound Name1-hex-1-ynyl-2-iodocyclohexene
PubChem CID24767170
Molecular FormulaC12H17I
Molecular Weight288.17 g/mol
Exact Mass288.04
IUPAC Name1-hex-1-ynyl-2-iodocyclohexene
SMILESCCCCC#CC1=C(I)CCCC1
InChIInChI=1S/C12H17I/c1-2-3-4-5-8-11-9-6-7-10-12(11)13/h2-4,6-7,9-10H2,1H3
InChIKeyQHPYYXWPIOUCPA-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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
(Z)-6-ethyl-5-iodododec-5-en-7-yne
CID 10471117
(Z)-6-butyl-5-iodohexadec-5-en-9-yne
CID 10873112
1,2-Bis(2-iodoethynyl)cyclohexene
CID 101906425
(Z)-6-iodo-5-(2-iodoethyl)dodec-5-en-7-yne
CID 10718132
(Z)-6-ethyl-7-iodoundec-6-en-4-yne
CID 10756872
(3Z,5Z)-4,5,6-triethyl-3-iodododeca-3,5-dien-7-yne
CID 10981553
1-(2-(123I)iodoethynyl)cyclohexene
CID 11390534
1-[(Z)-1-iodohept-1-en-3-ynyl]cyclohexene
CID 12003922
(E)-5-ethyl-6-iododec-5-ene
CID 12939513
1-(6-Iodohex-1-ynyl)cyclohexene
CID 14430055
Lithium 1-hex-1-ynylcyclohexene
CID 24767056

Frequently Asked Questions

What is the IUPAC name of 1-hex-1-ynyl-2-iodocyclohexene?
The IUPAC name of 1-hex-1-ynyl-2-iodocyclohexene (CID 24767170) is 1-hex-1-ynyl-2-iodocyclohexene.
What is the SMILES notation for 1-hex-1-ynyl-2-iodocyclohexene?
The canonical SMILES for 1-hex-1-ynyl-2-iodocyclohexene is CCCCC#CC1=C(I)CCCC1.
What is the InChIKey of 1-hex-1-ynyl-2-iodocyclohexene?
The InChIKey is QHPYYXWPIOUCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17I/c1-2-3-4-5-8-11-9-6-7-10-12(11)13/h2-4,6-7,9-10H2,1H3.
What are the key properties of 1-hex-1-ynyl-2-iodocyclohexene?
1-hex-1-ynyl-2-iodocyclohexene has a molecular weight of 288.17 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-1-ynyl-2-iodocyclohexene is sourced from PubChem (CID 24767170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).