3-(iodomethyl)hex-5-enoyl chloride

C7H10ClIO — CID 87126318

IUPAC3-(iodomethyl)hex-5-enoyl chloride
SMILESC=CCC(CI)CC(=O)Cl
InChIInChI=1S/C7H10ClIO/c1-2-3-6(5-9)4-7(8)10/h2,6H,1,3-5H2
InChIKeyUDGLDWRRKLYOSY-UHFFFAOYSA-N
MW272.51 g/mol
LogP2.77
Rot. Bonds5

About 3-(iodomethyl)hex-5-enoyl chloride

3-(iodomethyl)hex-5-enoyl chloride (PubChem CID 87126318) has the molecular formula C7H10ClIO and a molecular weight of 272.51 g/mol. Its IUPAC name is 3-(iodomethyl)hex-5-enoyl chloride.

Molecular Properties

Compound Name3-(iodomethyl)hex-5-enoyl chloride
PubChem CID87126318
Molecular FormulaC7H10ClIO
Molecular Weight272.51 g/mol
Exact Mass271.95
IUPAC Name3-(iodomethyl)hex-5-enoyl chloride
SMILESC=CCC(CI)CC(=O)Cl
InChIInChI=1S/C7H10ClIO/c1-2-3-6(5-9)4-7(8)10/h2,6H,1,3-5H2
InChIKeyUDGLDWRRKLYOSY-UHFFFAOYSA-N
XLogP2.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.51
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(iodomethyl)hex-5-enoyl chloride?
The IUPAC name of 3-(iodomethyl)hex-5-enoyl chloride (CID 87126318) is 3-(iodomethyl)hex-5-enoyl chloride.
What is the SMILES notation for 3-(iodomethyl)hex-5-enoyl chloride?
The canonical SMILES for 3-(iodomethyl)hex-5-enoyl chloride is C=CCC(CI)CC(=O)Cl.
What is the InChIKey of 3-(iodomethyl)hex-5-enoyl chloride?
The InChIKey is UDGLDWRRKLYOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClIO/c1-2-3-6(5-9)4-7(8)10/h2,6H,1,3-5H2.
What are the key properties of 3-(iodomethyl)hex-5-enoyl chloride?
3-(iodomethyl)hex-5-enoyl chloride has a molecular weight of 272.51 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(iodomethyl)hex-5-enoyl chloride is sourced from PubChem (CID 87126318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).