6-iodo-1,4-dioxaspiro[4.5]dec-6-ene

C8H11IO2 — CID 14631807

IUPAC6-iodo-1,4-dioxaspiro[4.5]dec-6-ene
SMILESIC1=CCCCC12OCCO2
InChIInChI=1S/C8H11IO2/c9-7-3-1-2-4-8(7)10-5-6-11-8/h3H,1-2,4-6H2
InChIKeyIOKMJHKGLZXNOG-UHFFFAOYSA-N
MW266.08 g/mol
LogP2.23
Rot. Bonds

About 6-iodo-1,4-dioxaspiro[4.5]dec-6-ene

6-iodo-1,4-dioxaspiro[4.5]dec-6-ene (PubChem CID 14631807) has the molecular formula C8H11IO2 and a molecular weight of 266.08 g/mol. Its IUPAC name is 6-iodo-1,4-dioxaspiro[4.5]dec-6-ene.

Molecular Properties

Compound Name6-iodo-1,4-dioxaspiro[4.5]dec-6-ene
PubChem CID14631807
Molecular FormulaC8H11IO2
Molecular Weight266.08 g/mol
Exact Mass265.98
IUPAC Name6-iodo-1,4-dioxaspiro[4.5]dec-6-ene
SMILESIC1=CCCCC12OCCO2
InChIInChI=1S/C8H11IO2/c9-7-3-1-2-4-8(7)10-5-6-11-8/h3H,1-2,4-6H2
InChIKeyIOKMJHKGLZXNOG-UHFFFAOYSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.08
LogP ≤ 52.23
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 6-iodo-1,4-dioxaspiro[4.5]dec-6-ene?
The IUPAC name of 6-iodo-1,4-dioxaspiro[4.5]dec-6-ene (CID 14631807) is 6-iodo-1,4-dioxaspiro[4.5]dec-6-ene.
What is the SMILES notation for 6-iodo-1,4-dioxaspiro[4.5]dec-6-ene?
The canonical SMILES for 6-iodo-1,4-dioxaspiro[4.5]dec-6-ene is IC1=CCCCC12OCCO2.
What is the InChIKey of 6-iodo-1,4-dioxaspiro[4.5]dec-6-ene?
The InChIKey is IOKMJHKGLZXNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IO2/c9-7-3-1-2-4-8(7)10-5-6-11-8/h3H,1-2,4-6H2.
What are the key properties of 6-iodo-1,4-dioxaspiro[4.5]dec-6-ene?
6-iodo-1,4-dioxaspiro[4.5]dec-6-ene has a molecular weight of 266.08 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-1,4-dioxaspiro[4.5]dec-6-ene is sourced from PubChem (CID 14631807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).