1-(5-iodopent-1-ynyl)cyclohexene

C11H15I — CID 121218022

IUPAC1-(5-iodopent-1-ynyl)cyclohexene
SMILESICCCC#CC1=CCCCC1
InChIInChI=1S/C11H15I/c12-10-6-2-5-9-11-7-3-1-4-8-11/h7H,1-4,6,8,10H2
InChIKeyIWRVRGXPWJNNLY-UHFFFAOYSA-N
MW274.14 g/mol
LogP3.71
Rot. Bonds2

About 1-(5-iodopent-1-ynyl)cyclohexene

1-(5-iodopent-1-ynyl)cyclohexene (PubChem CID 121218022) has the molecular formula C11H15I and a molecular weight of 274.14 g/mol. Its IUPAC name is 1-(5-iodopent-1-ynyl)cyclohexene.

Molecular Properties

Compound Name1-(5-iodopent-1-ynyl)cyclohexene
PubChem CID121218022
Molecular FormulaC11H15I
Molecular Weight274.14 g/mol
Exact Mass274.02
IUPAC Name1-(5-iodopent-1-ynyl)cyclohexene
SMILESICCCC#CC1=CCCCC1
InChIInChI=1S/C11H15I/c12-10-6-2-5-9-11-7-3-1-4-8-11/h7H,1-4,6,8,10H2
InChIKeyIWRVRGXPWJNNLY-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.14
LogP ≤ 53.71
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-(2-Iodoethynyl)cyclohexene
CID 10988113
1-Hex-1-ynyl-cyclohexene
CID 11147892
Cyclohexenylethynyllithium
CID 10855411
1-(Iodomethyl)cyclohexene
CID 11160371
1-(4-Fluorobut-1-ynyl)cyclohexene
CID 90767795
1-(5-Fluoropent-1-ynyl)cyclohexene
CID 90907558
1-(3-Fluoroprop-1-ynyl)cyclohexene
CID 91274378
1-But-3-en-1-ynylcyclohexene
CID 13581504
Cyclohexene, 1-(1,3-butadiynyl)-
CID 45079141

Frequently Asked Questions

What is the IUPAC name of 1-(5-iodopent-1-ynyl)cyclohexene?
The IUPAC name of 1-(5-iodopent-1-ynyl)cyclohexene (CID 121218022) is 1-(5-iodopent-1-ynyl)cyclohexene.
What is the SMILES notation for 1-(5-iodopent-1-ynyl)cyclohexene?
The canonical SMILES for 1-(5-iodopent-1-ynyl)cyclohexene is ICCCC#CC1=CCCCC1.
What is the InChIKey of 1-(5-iodopent-1-ynyl)cyclohexene?
The InChIKey is IWRVRGXPWJNNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15I/c12-10-6-2-5-9-11-7-3-1-4-8-11/h7H,1-4,6,8,10H2.
What are the key properties of 1-(5-iodopent-1-ynyl)cyclohexene?
1-(5-iodopent-1-ynyl)cyclohexene has a molecular weight of 274.14 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodopent-1-ynyl)cyclohexene is sourced from PubChem (CID 121218022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).