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

C12H17I — CID 14430055

IUPAC1-(6-iodohex-1-ynyl)cyclohexene
SMILESICCCCC#CC1=CCCCC1
InChIInChI=1S/C12H17I/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h9H,1-3,5-7,10-11H2
InChIKeyDWRPBEWDXHHYJH-UHFFFAOYSA-N
MW288.17 g/mol
LogP4.10
Rot. Bonds3

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

1-(6-iodohex-1-ynyl)cyclohexene (PubChem CID 14430055) has the molecular formula C12H17I and a molecular weight of 288.17 g/mol. Its IUPAC name is 1-(6-iodohex-1-ynyl)cyclohexene.

Molecular Properties

Compound Name1-(6-iodohex-1-ynyl)cyclohexene
PubChem CID14430055
Molecular FormulaC12H17I
Molecular Weight288.17 g/mol
Exact Mass288.04
IUPAC Name1-(6-iodohex-1-ynyl)cyclohexene
SMILESICCCCC#CC1=CCCCC1
InChIInChI=1S/C12H17I/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h9H,1-3,5-7,10-11H2
InChIKeyDWRPBEWDXHHYJH-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 54.10
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-Ethynylcyclohexene
CID 79128
1,1'-Ethyne-1,2-diyldicyclohexene
CID 235024
Cyclohexene, 1-(1-propynyl)-
CID 577619
1-[4-(Cyclohexen-1-yl)buta-1,3-diynyl]cyclohexene
CID 9855843
1-(2-Iodoethynyl)cyclohexene
CID 10988113
1-Hex-1-ynyl-cyclohexene
CID 11147892
Cyclohexenylethynyllithium
CID 10855411
1-(2-Butyltellanylethynyl)cyclohexene
CID 10902338
1-But-3-en-1-ynylcyclohexene
CID 13581504
(7E)-8-methyl-7-tridecen-5-yne
CID 24972331
Cyclohexene, 1-(1,3-butadiynyl)-
CID 45079141
1-(3-Iodopropyl)cyclohexene
CID 85788124

Frequently Asked Questions

What is the IUPAC name of 1-(6-iodohex-1-ynyl)cyclohexene?
The IUPAC name of 1-(6-iodohex-1-ynyl)cyclohexene (CID 14430055) is 1-(6-iodohex-1-ynyl)cyclohexene.
What is the SMILES notation for 1-(6-iodohex-1-ynyl)cyclohexene?
The canonical SMILES for 1-(6-iodohex-1-ynyl)cyclohexene is ICCCCC#CC1=CCCCC1.
What is the InChIKey of 1-(6-iodohex-1-ynyl)cyclohexene?
The InChIKey is DWRPBEWDXHHYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17I/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h9H,1-3,5-7,10-11H2.
What are the key properties of 1-(6-iodohex-1-ynyl)cyclohexene?
1-(6-iodohex-1-ynyl)cyclohexene has a molecular weight of 288.17 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-iodohex-1-ynyl)cyclohexene is sourced from PubChem (CID 14430055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).