7-(3-iodopropyl)-1,4-dioxaspiro[4.5]dec-6-ene

C11H17IO2 — CID 11266807

IUPAC7-(3-iodopropyl)-1,4-dioxaspiro[4.5]dec-6-ene
SMILESICCCC1=CC2(CCC1)OCCO2
InChIInChI=1S/C11H17IO2/c12-6-2-4-10-3-1-5-11(9-10)13-7-8-14-11/h9H,1-8H2
InChIKeyJSWUBJBOTUNJGJ-UHFFFAOYSA-N
MW308.16 g/mol
LogP3.06
Rot. Bonds3

About 7-(3-iodopropyl)-1,4-dioxaspiro[4.5]dec-6-ene

7-(3-iodopropyl)-1,4-dioxaspiro[4.5]dec-6-ene (PubChem CID 11266807) has the molecular formula C11H17IO2 and a molecular weight of 308.16 g/mol. Its IUPAC name is 7-(3-iodopropyl)-1,4-dioxaspiro[4.5]dec-6-ene.

Molecular Properties

Compound Name7-(3-iodopropyl)-1,4-dioxaspiro[4.5]dec-6-ene
PubChem CID11266807
Molecular FormulaC11H17IO2
Molecular Weight308.16 g/mol
Exact Mass308.03
IUPAC Name7-(3-iodopropyl)-1,4-dioxaspiro[4.5]dec-6-ene
SMILESICCCC1=CC2(CCC1)OCCO2
InChIInChI=1S/C11H17IO2/c12-6-2-4-10-3-1-5-11(9-10)13-7-8-14-11/h9H,1-8H2
InChIKeyJSWUBJBOTUNJGJ-UHFFFAOYSA-N
XLogP3.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.16
LogP ≤ 53.06
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7-Methyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 11137430
7-Pent-4-ynyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 85819494
6-Methyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 11137374
7-(Fluoromethyl)-1,4-dioxaspiro[4.5]dec-6-ene
CID 170721185
7-Ethyl-1,4-dioxaspiro[4.5]dec-6-ene;iodozinc(1+)
CID 166436839
Lithium 7-pent-4-ynyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 166442817
1-Acetylcyclohexene ethyleneacetal
CID 10678693
(6Z)-1,4-dioxaspiro[4.7]dodec-6-ene
CID 12592638
2-(Cyclohexen-1-yl)-1,3-dioxolane
CID 11412495
6-Iodo-1,4-dioxaspiro[4.5]dec-6-ene
CID 14631807
8-(3,6-dihydro-2H-pyran-4-yl)-1,4-dioxaspiro[4.5]dec-7-ene
CID 58562577
6-Ethyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 85585664

Frequently Asked Questions

What is the IUPAC name of 7-(3-iodopropyl)-1,4-dioxaspiro[4.5]dec-6-ene?
The IUPAC name of 7-(3-iodopropyl)-1,4-dioxaspiro[4.5]dec-6-ene (CID 11266807) is 7-(3-iodopropyl)-1,4-dioxaspiro[4.5]dec-6-ene.
What is the SMILES notation for 7-(3-iodopropyl)-1,4-dioxaspiro[4.5]dec-6-ene?
The canonical SMILES for 7-(3-iodopropyl)-1,4-dioxaspiro[4.5]dec-6-ene is ICCCC1=CC2(CCC1)OCCO2.
What is the InChIKey of 7-(3-iodopropyl)-1,4-dioxaspiro[4.5]dec-6-ene?
The InChIKey is JSWUBJBOTUNJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IO2/c12-6-2-4-10-3-1-5-11(9-10)13-7-8-14-11/h9H,1-8H2.
What are the key properties of 7-(3-iodopropyl)-1,4-dioxaspiro[4.5]dec-6-ene?
7-(3-iodopropyl)-1,4-dioxaspiro[4.5]dec-6-ene has a molecular weight of 308.16 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-iodopropyl)-1,4-dioxaspiro[4.5]dec-6-ene is sourced from PubChem (CID 11266807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).