7-iodo-1,4-dioxaspiro[4.5]dec-7-ene

C8H11IO2 — CID 134967934

IUPAC7-iodo-1,4-dioxaspiro[4.5]dec-7-ene
SMILESIC1=CCCC2(C1)OCCO2
InChIInChI=1S/C8H11IO2/c9-7-2-1-3-8(6-7)10-4-5-11-8/h2H,1,3-6H2
InChIKeyXZXBBPAYBXVGBA-UHFFFAOYSA-N
MW266.08 g/mol
LogP2.23
Rot. Bonds

About 7-iodo-1,4-dioxaspiro[4.5]dec-7-ene

7-iodo-1,4-dioxaspiro[4.5]dec-7-ene (PubChem CID 134967934) has the molecular formula C8H11IO2 and a molecular weight of 266.08 g/mol. Its IUPAC name is 7-iodo-1,4-dioxaspiro[4.5]dec-7-ene.

Molecular Properties

Compound Name7-iodo-1,4-dioxaspiro[4.5]dec-7-ene
PubChem CID134967934
Molecular FormulaC8H11IO2
Molecular Weight266.08 g/mol
Exact Mass265.98
IUPAC Name7-iodo-1,4-dioxaspiro[4.5]dec-7-ene
SMILESIC1=CCCC2(C1)OCCO2
InChIInChI=1S/C8H11IO2/c9-7-2-1-3-8(6-7)10-4-5-11-8/h2H,1,3-6H2
InChIKeyXZXBBPAYBXVGBA-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 7-iodo-1,4-dioxaspiro[4.5]dec-7-ene?
The IUPAC name of 7-iodo-1,4-dioxaspiro[4.5]dec-7-ene (CID 134967934) is 7-iodo-1,4-dioxaspiro[4.5]dec-7-ene.
What is the SMILES notation for 7-iodo-1,4-dioxaspiro[4.5]dec-7-ene?
The canonical SMILES for 7-iodo-1,4-dioxaspiro[4.5]dec-7-ene is IC1=CCCC2(C1)OCCO2.
What is the InChIKey of 7-iodo-1,4-dioxaspiro[4.5]dec-7-ene?
The InChIKey is XZXBBPAYBXVGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IO2/c9-7-2-1-3-8(6-7)10-4-5-11-8/h2H,1,3-6H2.
What are the key properties of 7-iodo-1,4-dioxaspiro[4.5]dec-7-ene?
7-iodo-1,4-dioxaspiro[4.5]dec-7-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 7-iodo-1,4-dioxaspiro[4.5]dec-7-ene is sourced from PubChem (CID 134967934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).