2-[(Z)-5-iodopent-4-enyl]cyclohexan-1-one

C11H17IO — CID 10565543

IUPAC2-[(Z)-5-iodopent-4-enyl]cyclohexan-1-one
SMILESO=C1CCCCC1CCC/C=C\I
InChIInChI=1S/C11H17IO/c12-9-5-1-2-6-10-7-3-4-8-11(10)13/h5,9-10H,1-4,6-8H2/b9-5-
InChIKeyPTUCAYMJHPVNEZ-UITAMQMPSA-N
MW292.16 g/mol
LogP3.86
Rot. Bonds4

About 2-[(Z)-5-iodopent-4-enyl]cyclohexan-1-one

2-[(Z)-5-iodopent-4-enyl]cyclohexan-1-one (PubChem CID 10565543) has the molecular formula C11H17IO and a molecular weight of 292.16 g/mol. Its IUPAC name is 2-[(Z)-5-iodopent-4-enyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[(Z)-5-iodopent-4-enyl]cyclohexan-1-one
PubChem CID10565543
Molecular FormulaC11H17IO
Molecular Weight292.16 g/mol
Exact Mass292.03
IUPAC Name2-[(Z)-5-iodopent-4-enyl]cyclohexan-1-one
SMILESO=C1CCCCC1CCC/C=C\I
InChIInChI=1S/C11H17IO/c12-9-5-1-2-6-10-7-3-4-8-11(10)13/h5,9-10H,1-4,6-8H2/b9-5-
InChIKeyPTUCAYMJHPVNEZ-UITAMQMPSA-N
XLogP3.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.16
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-5-iodopent-4-enyl]cyclohexan-1-one?
The IUPAC name of 2-[(Z)-5-iodopent-4-enyl]cyclohexan-1-one (CID 10565543) is 2-[(Z)-5-iodopent-4-enyl]cyclohexan-1-one.
What is the SMILES notation for 2-[(Z)-5-iodopent-4-enyl]cyclohexan-1-one?
The canonical SMILES for 2-[(Z)-5-iodopent-4-enyl]cyclohexan-1-one is O=C1CCCCC1CCC/C=C\I.
What is the InChIKey of 2-[(Z)-5-iodopent-4-enyl]cyclohexan-1-one?
The InChIKey is PTUCAYMJHPVNEZ-UITAMQMPSA-N. The full InChI is InChI=1S/C11H17IO/c12-9-5-1-2-6-10-7-3-4-8-11(10)13/h5,9-10H,1-4,6-8H2/b9-5-.
What are the key properties of 2-[(Z)-5-iodopent-4-enyl]cyclohexan-1-one?
2-[(Z)-5-iodopent-4-enyl]cyclohexan-1-one has a molecular weight of 292.16 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-5-iodopent-4-enyl]cyclohexan-1-one is sourced from PubChem (CID 10565543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).