8-(3,5-dimethylbenzene-4-id-1-yl)-1,4-dioxaspiro[4.5]decane;yttrium

C16H21O2Y- — CID 59955603

IUPAC8-(3,5-dimethylbenzene-4-id-1-yl)-1,4-dioxaspiro[4.5]decane;yttrium
SMILESCc1[c-]c(C)cc(C2CCC3(CC2)OCCO3)c1.[Y]
InChIInChI=1S/C16H21O2.Y/c1-12-9-13(2)11-15(10-12)14-3-5-16(6-4-14)17-7-8-18-16;/h10-11,14H,3-8H2,1-2H3;/q-1;
InChIKeyJVDDXHYVHKUUIM-UHFFFAOYSA-N
MW334.25 g/mol
LogP3.50
Rot. Bonds1

About 8-(3,5-dimethylbenzene-4-id-1-yl)-1,4-dioxaspiro[4.5]decane;yttrium

8-(3,5-dimethylbenzene-4-id-1-yl)-1,4-dioxaspiro[4.5]decane;yttrium (PubChem CID 59955603) has the molecular formula C16H21O2Y- and a molecular weight of 334.25 g/mol. Its IUPAC name is 8-(3,5-dimethylbenzene-4-id-1-yl)-1,4-dioxaspiro[4.5]decane;yttrium.

Molecular Properties

Compound Name8-(3,5-dimethylbenzene-4-id-1-yl)-1,4-dioxaspiro[4.5]decane;yttrium
PubChem CID59955603
Molecular FormulaC16H21O2Y-
Molecular Weight334.25 g/mol
Exact Mass334.06
IUPAC Name8-(3,5-dimethylbenzene-4-id-1-yl)-1,4-dioxaspiro[4.5]decane;yttrium
SMILESCc1[c-]c(C)cc(C2CCC3(CC2)OCCO3)c1.[Y]
InChIInChI=1S/C16H21O2.Y/c1-12-9-13(2)11-15(10-12)14-3-5-16(6-4-14)17-7-8-18-16;/h10-11,14H,3-8H2,1-2H3;/q-1;
InChIKeyJVDDXHYVHKUUIM-UHFFFAOYSA-N
XLogP3.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 53.50
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-(3,5-dimethylbenzene-4-id-1-yl)-1,4-dioxaspiro[4.5]decane;yttrium?
The IUPAC name of 8-(3,5-dimethylbenzene-4-id-1-yl)-1,4-dioxaspiro[4.5]decane;yttrium (CID 59955603) is 8-(3,5-dimethylbenzene-4-id-1-yl)-1,4-dioxaspiro[4.5]decane;yttrium.
What is the SMILES notation for 8-(3,5-dimethylbenzene-4-id-1-yl)-1,4-dioxaspiro[4.5]decane;yttrium?
The canonical SMILES for 8-(3,5-dimethylbenzene-4-id-1-yl)-1,4-dioxaspiro[4.5]decane;yttrium is Cc1[c-]c(C)cc(C2CCC3(CC2)OCCO3)c1.[Y].
What is the InChIKey of 8-(3,5-dimethylbenzene-4-id-1-yl)-1,4-dioxaspiro[4.5]decane;yttrium?
The InChIKey is JVDDXHYVHKUUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21O2.Y/c1-12-9-13(2)11-15(10-12)14-3-5-16(6-4-14)17-7-8-18-16;/h10-11,14H,3-8H2,1-2H3;/q-1;.
What are the key properties of 8-(3,5-dimethylbenzene-4-id-1-yl)-1,4-dioxaspiro[4.5]decane;yttrium?
8-(3,5-dimethylbenzene-4-id-1-yl)-1,4-dioxaspiro[4.5]decane;yttrium has a molecular weight of 334.25 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-dimethylbenzene-4-id-1-yl)-1,4-dioxaspiro[4.5]decane;yttrium is sourced from PubChem (CID 59955603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).