2'-(3,5-dimethylbenzene-4-id-1-yl)spiro[1,3-dioxolane-2,7'-2,3,4,4a,4b,5,6,8,8a,9,10,10a-dodecahydro-1H-phenanthrene];yttrium

C24H33O2Y- — CID 58650720

About 2'-(3,5-dimethylbenzene-4-id-1-yl)spiro[1,3-dioxolane-2,7'-2,3,4,4a,4b,5,6,8,8a,9,10,10a-dodecahydro-1H-phenanthrene];yttrium

2'-(3,5-dimethylbenzene-4-id-1-yl)spiro[1,3-dioxolane-2,7'-2,3,4,4a,4b,5,6,8,8a,9,10,10a-dodecahydro-1H-phenanthrene];yttrium (PubChem CID 58650720) has the molecular formula C24H33O2Y- and a molecular weight of 442.43 g/mol. Its IUPAC name is 2'-(3,5-dimethylbenzene-4-id-1-yl)spiro[1,3-dioxolane-2,7'-2,3,4,4a,4b,5,6,8,8a,9,10,10a-dodecahydro-1H-phenanthrene];yttrium.

Molecular Properties

• Compound Name: 2'-(3,5-dimethylbenzene-4-id-1-yl)spiro[1,3-dioxolane-2,7'-2,3,4,4a,4b,5,6,8,8a,9,10,10a-dodecahydro-1H-phenanthrene];yttrium
• PubChem CID: 58650720
• Molecular Formula: C24H33O2Y-
• Molecular Weight: 442.43 g/mol
• Exact Mass: 442.15
• IUPAC Name: 2'-(3,5-dimethylbenzene-4-id-1-yl)spiro[1,3-dioxolane-2,7'-2,3,4,4a,4b,5,6,8,8a,9,10,10a-dodecahydro-1H-phenanthrene];yttrium
• SMILES: Cc1[c-]c(C)cc(C2CCC3C(CCC4CC5(CCC43)OCCO5)C2)c1.[Y]
• InChI: InChI=1S/C24H33O2.Y/c1-16-11-17(2)13-21(12-16)18-5-6-22-19(14-18)3-4-20-15-24(8-7-23(20)22)25-9-10-26-24;/h12-13,18-20,22-23H,3-10,14-15H2,1-2H3;/q-1
• InChIKey: FZFZTMFASVXVTP-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.43
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2'-(3,5-dimethylbenzene-4-id-1-yl)spiro[1,3-dioxolane-2,7'-2,3,4,4a,4b,5,6,8,8a,9,10,10a-dodecahydro-1H-phenanthrene];yttrium?

The IUPAC name of 2'-(3,5-dimethylbenzene-4-id-1-yl)spiro[1,3-dioxolane-2,7'-2,3,4,4a,4b,5,6,8,8a,9,10,10a-dodecahydro-1H-phenanthrene];yttrium (CID 58650720) is 2'-(3,5-dimethylbenzene-4-id-1-yl)spiro[1,3-dioxolane-2,7'-2,3,4,4a,4b,5,6,8,8a,9,10,10a-dodecahydro-1H-phenanthrene];yttrium.

What is the SMILES notation for 2'-(3,5-dimethylbenzene-4-id-1-yl)spiro[1,3-dioxolane-2,7'-2,3,4,4a,4b,5,6,8,8a,9,10,10a-dodecahydro-1H-phenanthrene];yttrium?

The canonical SMILES for 2'-(3,5-dimethylbenzene-4-id-1-yl)spiro[1,3-dioxolane-2,7'-2,3,4,4a,4b,5,6,8,8a,9,10,10a-dodecahydro-1H-phenanthrene];yttrium is Cc1[c-]c(C)cc(C2CCC3C(CCC4CC5(CCC43)OCCO5)C2)c1.[Y].

What is the InChIKey of 2'-(3,5-dimethylbenzene-4-id-1-yl)spiro[1,3-dioxolane-2,7'-2,3,4,4a,4b,5,6,8,8a,9,10,10a-dodecahydro-1H-phenanthrene];yttrium?

The InChIKey is FZFZTMFASVXVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33O2.Y/c1-16-11-17(2)13-21(12-16)18-5-6-22-19(14-18)3-4-20-15-24(8-7-23(20)22)25-9-10-26-24;/h12-13,18-20,22-23H,3-10,14-15H2,1-2H3;/q-1;.

What are the key properties of 2'-(3,5-dimethylbenzene-4-id-1-yl)spiro[1,3-dioxolane-2,7'-2,3,4,4a,4b,5,6,8,8a,9,10,10a-dodecahydro-1H-phenanthrene];yttrium?

2'-(3,5-dimethylbenzene-4-id-1-yl)spiro[1,3-dioxolane-2,7'-2,3,4,4a,4b,5,6,8,8a,9,10,10a-dodecahydro-1H-phenanthrene];yttrium has a molecular weight of 442.43 g/mol, XLogP of 5.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2'-(3,5-dimethylbenzene-4-id-1-yl)spiro[1,3-dioxolane-2,7'-2,3,4,4a,4b,5,6,8,8a,9,10,10a-dodecahydro-1H-phenanthrene];yttrium is sourced from PubChem (CID 58650720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).