[(1R)-2-iodocyclohex-2-en-1-yl] acetate

C8H11IO2 — CID 11288575

IUPAC[(1R)-2-iodocyclohex-2-en-1-yl] acetate
SMILESCC(=O)O[C@@H]1CCCC=C1I
InChIInChI=1S/C8H11IO2/c1-6(10)11-8-5-3-2-4-7(8)9/h4,8H,2-3,5H2,1H3/t8-/m1/s1
InChIKeyPZFCMKKFWCWFJR-MRVPVSSYSA-N
MW266.08 g/mol
LogP2.42
Rot. Bonds1

About [(1R)-2-iodocyclohex-2-en-1-yl] acetate

[(1R)-2-iodocyclohex-2-en-1-yl] acetate (PubChem CID 11288575) has the molecular formula C8H11IO2 and a molecular weight of 266.08 g/mol. Its IUPAC name is [(1R)-2-iodocyclohex-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(1R)-2-iodocyclohex-2-en-1-yl] acetate
PubChem CID11288575
Molecular FormulaC8H11IO2
Molecular Weight266.08 g/mol
Exact Mass265.98
IUPAC Name[(1R)-2-iodocyclohex-2-en-1-yl] acetate
SMILESCC(=O)O[C@@H]1CCCC=C1I
InChIInChI=1S/C8H11IO2/c1-6(10)11-8-5-3-2-4-7(8)9/h4,8H,2-3,5H2,1H3/t8-/m1/s1
InChIKeyPZFCMKKFWCWFJR-MRVPVSSYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R)-2-iodocyclohex-2-en-1-yl] acetate?
The IUPAC name of [(1R)-2-iodocyclohex-2-en-1-yl] acetate (CID 11288575) is [(1R)-2-iodocyclohex-2-en-1-yl] acetate.
What is the SMILES notation for [(1R)-2-iodocyclohex-2-en-1-yl] acetate?
The canonical SMILES for [(1R)-2-iodocyclohex-2-en-1-yl] acetate is CC(=O)O[C@@H]1CCCC=C1I.
What is the InChIKey of [(1R)-2-iodocyclohex-2-en-1-yl] acetate?
The InChIKey is PZFCMKKFWCWFJR-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H11IO2/c1-6(10)11-8-5-3-2-4-7(8)9/h4,8H,2-3,5H2,1H3/t8-/m1/s1.
What are the key properties of [(1R)-2-iodocyclohex-2-en-1-yl] acetate?
[(1R)-2-iodocyclohex-2-en-1-yl] acetate has a molecular weight of 266.08 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-iodocyclohex-2-en-1-yl] acetate is sourced from PubChem (CID 11288575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).