(6Z)-2-(iodomethyl)-2,3,4,5-tetrahydrooxocin-8-one

C8H11IO2 — CID 10611768

IUPAC(6Z)-2-(iodomethyl)-2,3,4,5-tetrahydrooxocin-8-one
SMILESO=C1/C=C\CCCC(CI)O1
InChIInChI=1S/C8H11IO2/c9-6-7-4-2-1-3-5-8(10)11-7/h3,5,7H,1-2,4,6H2/b5-3-
InChIKeyBJAIDEYGDCIFTH-HYXAFXHYSA-N
MW266.08 g/mol
LogP2.07
Rot. Bonds1

About (6Z)-2-(iodomethyl)-2,3,4,5-tetrahydrooxocin-8-one

(6Z)-2-(iodomethyl)-2,3,4,5-tetrahydrooxocin-8-one (PubChem CID 10611768) has the molecular formula C8H11IO2 and a molecular weight of 266.08 g/mol. Its IUPAC name is (6Z)-2-(iodomethyl)-2,3,4,5-tetrahydrooxocin-8-one.

Molecular Properties

Compound Name(6Z)-2-(iodomethyl)-2,3,4,5-tetrahydrooxocin-8-one
PubChem CID10611768
Molecular FormulaC8H11IO2
Molecular Weight266.08 g/mol
Exact Mass265.98
IUPAC Name(6Z)-2-(iodomethyl)-2,3,4,5-tetrahydrooxocin-8-one
SMILESO=C1/C=C\CCCC(CI)O1
InChIInChI=1S/C8H11IO2/c9-6-7-4-2-1-3-5-8(10)11-7/h3,5,7H,1-2,4,6H2/b5-3-
InChIKeyBJAIDEYGDCIFTH-HYXAFXHYSA-N
XLogP2.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.08
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6Z)-2-(iodomethyl)-2,3,4,5-tetrahydrooxocin-8-one?
The IUPAC name of (6Z)-2-(iodomethyl)-2,3,4,5-tetrahydrooxocin-8-one (CID 10611768) is (6Z)-2-(iodomethyl)-2,3,4,5-tetrahydrooxocin-8-one.
What is the SMILES notation for (6Z)-2-(iodomethyl)-2,3,4,5-tetrahydrooxocin-8-one?
The canonical SMILES for (6Z)-2-(iodomethyl)-2,3,4,5-tetrahydrooxocin-8-one is O=C1/C=C\CCCC(CI)O1.
What is the InChIKey of (6Z)-2-(iodomethyl)-2,3,4,5-tetrahydrooxocin-8-one?
The InChIKey is BJAIDEYGDCIFTH-HYXAFXHYSA-N. The full InChI is InChI=1S/C8H11IO2/c9-6-7-4-2-1-3-5-8(10)11-7/h3,5,7H,1-2,4,6H2/b5-3-.
What are the key properties of (6Z)-2-(iodomethyl)-2,3,4,5-tetrahydrooxocin-8-one?
(6Z)-2-(iodomethyl)-2,3,4,5-tetrahydrooxocin-8-one has a molecular weight of 266.08 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-2-(iodomethyl)-2,3,4,5-tetrahydrooxocin-8-one is sourced from PubChem (CID 10611768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).