7-ethyl-1,4-dioxaspiro[4.5]dec-6-ene;iodozinc(1+)

C10H15IO2Zn — CID 166436839

IUPAC7-ethyl-1,4-dioxaspiro[4.5]dec-6-ene;iodozinc(1+)
SMILES[CH2-]CC1=CC2(CCC1)OCCO2.[Zn+]I
InChIInChI=1S/C10H15O2.HI.Zn/c1-2-9-4-3-5-10(8-9)11-6-7-12-10;;/h8H,1-7H2;1H;/q-1;;+2/p-1
InChIKeyDQUBPUFXUORNAM-UHFFFAOYSA-M
MW359.52 g/mol
LogP2.95
Rot. Bonds1

About 7-ethyl-1,4-dioxaspiro[4.5]dec-6-ene;iodozinc(1+)

7-ethyl-1,4-dioxaspiro[4.5]dec-6-ene;iodozinc(1+) (PubChem CID 166436839) has the molecular formula C10H15IO2Zn and a molecular weight of 359.52 g/mol. Its IUPAC name is 7-ethyl-1,4-dioxaspiro[4.5]dec-6-ene;iodozinc(1+).

Molecular Properties

Compound Name7-ethyl-1,4-dioxaspiro[4.5]dec-6-ene;iodozinc(1+)
PubChem CID166436839
Molecular FormulaC10H15IO2Zn
Molecular Weight359.52 g/mol
Exact Mass357.94
IUPAC Name7-ethyl-1,4-dioxaspiro[4.5]dec-6-ene;iodozinc(1+)
SMILES[CH2-]CC1=CC2(CCC1)OCCO2.[Zn+]I
InChIInChI=1S/C10H15O2.HI.Zn/c1-2-9-4-3-5-10(8-9)11-6-7-12-10;;/h8H,1-7H2;1H;/q-1;;+2/p-1
InChIKeyDQUBPUFXUORNAM-UHFFFAOYSA-M
XLogP2.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1,4-dioxaspiro[4.5]dec-6-ene;iodozinc(1+)?
The IUPAC name of 7-ethyl-1,4-dioxaspiro[4.5]dec-6-ene;iodozinc(1+) (CID 166436839) is 7-ethyl-1,4-dioxaspiro[4.5]dec-6-ene;iodozinc(1+).
What is the SMILES notation for 7-ethyl-1,4-dioxaspiro[4.5]dec-6-ene;iodozinc(1+)?
The canonical SMILES for 7-ethyl-1,4-dioxaspiro[4.5]dec-6-ene;iodozinc(1+) is [CH2-]CC1=CC2(CCC1)OCCO2.[Zn+]I.
What is the InChIKey of 7-ethyl-1,4-dioxaspiro[4.5]dec-6-ene;iodozinc(1+)?
The InChIKey is DQUBPUFXUORNAM-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H15O2.HI.Zn/c1-2-9-4-3-5-10(8-9)11-6-7-12-10;;/h8H,1-7H2;1H;/q-1;;+2/p-1.
What are the key properties of 7-ethyl-1,4-dioxaspiro[4.5]dec-6-ene;iodozinc(1+)?
7-ethyl-1,4-dioxaspiro[4.5]dec-6-ene;iodozinc(1+) has a molecular weight of 359.52 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1,4-dioxaspiro[4.5]dec-6-ene;iodozinc(1+) is sourced from PubChem (CID 166436839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).