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

C9H15O2Y- — CID 59312515

IUPAC8-methanidyl-1,4-dioxaspiro[4.5]decane;yttrium
SMILES[CH2-]C1CCC2(CC1)OCCO2.[Y]
InChIInChI=1S/C9H15O2.Y/c1-8-2-4-9(5-3-8)10-6-7-11-9;/h8H,1-7H2;/q-1;
InChIKeyBCTOHKHMLHUTMK-UHFFFAOYSA-N
MW244.12 g/mol
LogP1.75
Rot. Bonds

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

8-methanidyl-1,4-dioxaspiro[4.5]decane;yttrium (PubChem CID 59312515) has the molecular formula C9H15O2Y- and a molecular weight of 244.12 g/mol. Its IUPAC name is 8-methanidyl-1,4-dioxaspiro[4.5]decane;yttrium.

Molecular Properties

Compound Name8-methanidyl-1,4-dioxaspiro[4.5]decane;yttrium
PubChem CID59312515
Molecular FormulaC9H15O2Y-
Molecular Weight244.12 g/mol
Exact Mass244.01
IUPAC Name8-methanidyl-1,4-dioxaspiro[4.5]decane;yttrium
SMILES[CH2-]C1CCC2(CC1)OCCO2.[Y]
InChIInChI=1S/C9H15O2.Y/c1-8-2-4-9(5-3-8)10-6-7-11-9;/h8H,1-7H2;/q-1;
InChIKeyBCTOHKHMLHUTMK-UHFFFAOYSA-N
XLogP1.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methanidyl-1,4-dioxaspiro[4.5]decane;yttrium?
The IUPAC name of 8-methanidyl-1,4-dioxaspiro[4.5]decane;yttrium (CID 59312515) is 8-methanidyl-1,4-dioxaspiro[4.5]decane;yttrium.
What is the SMILES notation for 8-methanidyl-1,4-dioxaspiro[4.5]decane;yttrium?
The canonical SMILES for 8-methanidyl-1,4-dioxaspiro[4.5]decane;yttrium is [CH2-]C1CCC2(CC1)OCCO2.[Y].
What is the InChIKey of 8-methanidyl-1,4-dioxaspiro[4.5]decane;yttrium?
The InChIKey is BCTOHKHMLHUTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15O2.Y/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;yttrium?
8-methanidyl-1,4-dioxaspiro[4.5]decane;yttrium has a molecular weight of 244.12 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;yttrium is sourced from PubChem (CID 59312515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).