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

C12H19IO — CID 10542655

IUPAC2-[(Z)-5-iodopent-4-enyl]cycloheptan-1-one
SMILESO=C1CCCCCC1CCC/C=C\I
InChIInChI=1S/C12H19IO/c13-10-6-2-4-8-11-7-3-1-5-9-12(11)14/h6,10-11H,1-5,7-9H2/b10-6-
InChIKeyPDVVJZUGPDLLQB-POHAHGRESA-N
MW306.19 g/mol
LogP4.25
Rot. Bonds4

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

2-[(Z)-5-iodopent-4-enyl]cycloheptan-1-one (PubChem CID 10542655) has the molecular formula C12H19IO and a molecular weight of 306.19 g/mol. Its IUPAC name is 2-[(Z)-5-iodopent-4-enyl]cycloheptan-1-one.

Molecular Properties

Compound Name2-[(Z)-5-iodopent-4-enyl]cycloheptan-1-one
PubChem CID10542655
Molecular FormulaC12H19IO
Molecular Weight306.19 g/mol
Exact Mass306.05
IUPAC Name2-[(Z)-5-iodopent-4-enyl]cycloheptan-1-one
SMILESO=C1CCCCCC1CCC/C=C\I
InChIInChI=1S/C12H19IO/c13-10-6-2-4-8-11-7-3-1-5-9-12(11)14/h6,10-11H,1-5,7-9H2/b10-6-
InChIKeyPDVVJZUGPDLLQB-POHAHGRESA-N
XLogP4.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 54.25
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]cycloheptan-1-one?
The IUPAC name of 2-[(Z)-5-iodopent-4-enyl]cycloheptan-1-one (CID 10542655) is 2-[(Z)-5-iodopent-4-enyl]cycloheptan-1-one.
What is the SMILES notation for 2-[(Z)-5-iodopent-4-enyl]cycloheptan-1-one?
The canonical SMILES for 2-[(Z)-5-iodopent-4-enyl]cycloheptan-1-one is O=C1CCCCCC1CCC/C=C\I.
What is the InChIKey of 2-[(Z)-5-iodopent-4-enyl]cycloheptan-1-one?
The InChIKey is PDVVJZUGPDLLQB-POHAHGRESA-N. The full InChI is InChI=1S/C12H19IO/c13-10-6-2-4-8-11-7-3-1-5-9-12(11)14/h6,10-11H,1-5,7-9H2/b10-6-.
What are the key properties of 2-[(Z)-5-iodopent-4-enyl]cycloheptan-1-one?
2-[(Z)-5-iodopent-4-enyl]cycloheptan-1-one has a molecular weight of 306.19 g/mol, XLogP of 4.25, 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]cycloheptan-1-one is sourced from PubChem (CID 10542655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).