8-iodospiro[4.5]decane-1,4-dione

C10H13IO2 — CID 169006620

IUPAC8-iodospiro[4.5]decane-1,4-dione
SMILESO=C1CCC(=O)C12CCC(I)CC2
InChIInChI=1S/C10H13IO2/c11-7-3-5-10(6-4-7)8(12)1-2-9(10)13/h7H,1-6H2
InChIKeyMQZLDKORKBKVAB-UHFFFAOYSA-N
MW292.12 g/mol
LogP2.28
Rot. Bonds

About 8-iodospiro[4.5]decane-1,4-dione

8-iodospiro[4.5]decane-1,4-dione (PubChem CID 169006620) has the molecular formula C10H13IO2 and a molecular weight of 292.12 g/mol. Its IUPAC name is 8-iodospiro[4.5]decane-1,4-dione.

Molecular Properties

Compound Name8-iodospiro[4.5]decane-1,4-dione
PubChem CID169006620
Molecular FormulaC10H13IO2
Molecular Weight292.12 g/mol
Exact Mass292.00
IUPAC Name8-iodospiro[4.5]decane-1,4-dione
SMILESO=C1CCC(=O)C12CCC(I)CC2
InChIInChI=1S/C10H13IO2/c11-7-3-5-10(6-4-7)8(12)1-2-9(10)13/h7H,1-6H2
InChIKeyMQZLDKORKBKVAB-UHFFFAOYSA-N
XLogP2.28
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-iodospiro[4.5]decane-1,4-dione?
The IUPAC name of 8-iodospiro[4.5]decane-1,4-dione (CID 169006620) is 8-iodospiro[4.5]decane-1,4-dione.
What is the SMILES notation for 8-iodospiro[4.5]decane-1,4-dione?
The canonical SMILES for 8-iodospiro[4.5]decane-1,4-dione is O=C1CCC(=O)C12CCC(I)CC2.
What is the InChIKey of 8-iodospiro[4.5]decane-1,4-dione?
The InChIKey is MQZLDKORKBKVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IO2/c11-7-3-5-10(6-4-7)8(12)1-2-9(10)13/h7H,1-6H2.
What are the key properties of 8-iodospiro[4.5]decane-1,4-dione?
8-iodospiro[4.5]decane-1,4-dione has a molecular weight of 292.12 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-iodospiro[4.5]decane-1,4-dione is sourced from PubChem (CID 169006620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).