8-methanidyl-1,4-dioxaspiro[4.5]decane;zinc

C9H15O2Zn2- — CID 163945573

IUPAC8-methanidyl-1,4-dioxaspiro[4.5]decane;zinc
SMILES[CH2-]C1CCC2(CC1)OCCO2.[Zn].[Zn]
InChIInChI=1S/C9H15O2.2Zn/c1-8-2-4-9(5-3-8)10-6-7-11-9;;/h8H,1-7H2;;/q-1;;
InChIKeyHZIHKGTZVKHKJE-UHFFFAOYSA-N
MW286.00 g/mol
LogP1.75
Rot. Bonds

About 8-methanidyl-1,4-dioxaspiro[4.5]decane;zinc

8-methanidyl-1,4-dioxaspiro[4.5]decane;zinc (PubChem CID 163945573) has the molecular formula C9H15O2Zn2- and a molecular weight of 286.00 g/mol. Its IUPAC name is 8-methanidyl-1,4-dioxaspiro[4.5]decane;zinc.

Molecular Properties

Compound Name8-methanidyl-1,4-dioxaspiro[4.5]decane;zinc
PubChem CID163945573
Molecular FormulaC9H15O2Zn2-
Molecular Weight286.00 g/mol
Exact Mass282.97
IUPAC Name8-methanidyl-1,4-dioxaspiro[4.5]decane;zinc
SMILES[CH2-]C1CCC2(CC1)OCCO2.[Zn].[Zn]
InChIInChI=1S/C9H15O2.2Zn/c1-8-2-4-9(5-3-8)10-6-7-11-9;;/h8H,1-7H2;;/q-1;;
InChIKeyHZIHKGTZVKHKJE-UHFFFAOYSA-N
XLogP1.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.00
LogP ≤ 51.75
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'}

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Frequently Asked Questions

What is the IUPAC name of 8-methanidyl-1,4-dioxaspiro[4.5]decane;zinc?
The IUPAC name of 8-methanidyl-1,4-dioxaspiro[4.5]decane;zinc (CID 163945573) is 8-methanidyl-1,4-dioxaspiro[4.5]decane;zinc.
What is the SMILES notation for 8-methanidyl-1,4-dioxaspiro[4.5]decane;zinc?
The canonical SMILES for 8-methanidyl-1,4-dioxaspiro[4.5]decane;zinc is [CH2-]C1CCC2(CC1)OCCO2.[Zn].[Zn].
What is the InChIKey of 8-methanidyl-1,4-dioxaspiro[4.5]decane;zinc?
The InChIKey is HZIHKGTZVKHKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15O2.2Zn/c1-8-2-4-9(5-3-8)10-6-7-11-9;;/h8H,1-7H2;;/q-1;;.
What are the key properties of 8-methanidyl-1,4-dioxaspiro[4.5]decane;zinc?
8-methanidyl-1,4-dioxaspiro[4.5]decane;zinc has a molecular weight of 286.00 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methanidyl-1,4-dioxaspiro[4.5]decane;zinc is sourced from PubChem (CID 163945573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).