1-(2-hydroxy-3,6-dihydronaphthalene-3,6-diid-1-yl)-3,6-dihydronaphthalene-3,6-diid-2-ol;docosakis(yttrium)

C20H10O2Y22-4 — CID 59985034

IUPAC1-(2-hydroxy-3,6-dihydronaphthalene-3,6-diid-1-yl)-3,6-dihydronaphthalene-3,6-diid-2-ol;docosakis(yttrium)
SMILESOc1[c-]cc2c[c-]ccc2c1-c1c(O)[c-]cc2c[c-]ccc12.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C20H10O2.22Y/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;;;;;;;;;;;;;;;;;;;;;;/h3-10,21-22H;;;;;;;;;;;;;;;;;;;;;;/q-4;;;;;;;;;;;;;;;;;;;;;;
InChIKeyRSTMQHALBOVSHF-UHFFFAOYSA-N
MW2238.23 g/mol
LogP4.22
Rot. Bonds1

About 1-(2-hydroxy-3,6-dihydronaphthalene-3,6-diid-1-yl)-3,6-dihydronaphthalene-3,6-diid-2-ol;docosakis(yttrium)

1-(2-hydroxy-3,6-dihydronaphthalene-3,6-diid-1-yl)-3,6-dihydronaphthalene-3,6-diid-2-ol;docosakis(yttrium) (PubChem CID 59985034) has the molecular formula C20H10O2Y22-4 and a molecular weight of 2238.23 g/mol. Its IUPAC name is 1-(2-hydroxy-3,6-dihydronaphthalene-3,6-diid-1-yl)-3,6-dihydronaphthalene-3,6-diid-2-ol;docosakis(yttrium).

Molecular Properties

Compound Name1-(2-hydroxy-3,6-dihydronaphthalene-3,6-diid-1-yl)-3,6-dihydronaphthalene-3,6-diid-2-ol;docosakis(yttrium)
PubChem CID59985034
Molecular FormulaC20H10O2Y22-4
Molecular Weight2238.23 g/mol
Exact Mass2238.00
IUPAC Name1-(2-hydroxy-3,6-dihydronaphthalene-3,6-diid-1-yl)-3,6-dihydronaphthalene-3,6-diid-2-ol;docosakis(yttrium)
SMILESOc1[c-]cc2c[c-]ccc2c1-c1c(O)[c-]cc2c[c-]ccc12.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C20H10O2.22Y/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;;;;;;;;;;;;;;;;;;;;;;/h3-10,21-22H;;;;;;;;;;;;;;;;;;;;;;/q-4;;;;;;;;;;;;;;;;;;;;;;
InChIKeyRSTMQHALBOVSHF-UHFFFAOYSA-N
XLogP4.22
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5002238.23
LogP ≤ 54.22
H-Bond Donors ≤ 52
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 1-(2-hydroxy-3,6-dihydronaphthalene-3,6-diid-1-yl)-3,6-dihydronaphthalene-3,6-diid-2-ol;docosakis(yttrium)?
The IUPAC name of 1-(2-hydroxy-3,6-dihydronaphthalene-3,6-diid-1-yl)-3,6-dihydronaphthalene-3,6-diid-2-ol;docosakis(yttrium) (CID 59985034) is 1-(2-hydroxy-3,6-dihydronaphthalene-3,6-diid-1-yl)-3,6-dihydronaphthalene-3,6-diid-2-ol;docosakis(yttrium).
What is the SMILES notation for 1-(2-hydroxy-3,6-dihydronaphthalene-3,6-diid-1-yl)-3,6-dihydronaphthalene-3,6-diid-2-ol;docosakis(yttrium)?
The canonical SMILES for 1-(2-hydroxy-3,6-dihydronaphthalene-3,6-diid-1-yl)-3,6-dihydronaphthalene-3,6-diid-2-ol;docosakis(yttrium) is Oc1[c-]cc2c[c-]ccc2c1-c1c(O)[c-]cc2c[c-]ccc12.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of 1-(2-hydroxy-3,6-dihydronaphthalene-3,6-diid-1-yl)-3,6-dihydronaphthalene-3,6-diid-2-ol;docosakis(yttrium)?
The InChIKey is RSTMQHALBOVSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10O2.22Y/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;;;;;;;;;;;;;;;;;;;;;;/h3-10,21-22H;;;;;;;;;;;;;;;;;;;;;;/q-4;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of 1-(2-hydroxy-3,6-dihydronaphthalene-3,6-diid-1-yl)-3,6-dihydronaphthalene-3,6-diid-2-ol;docosakis(yttrium)?
1-(2-hydroxy-3,6-dihydronaphthalene-3,6-diid-1-yl)-3,6-dihydronaphthalene-3,6-diid-2-ol;docosakis(yttrium) has a molecular weight of 2238.23 g/mol, XLogP of 4.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3,6-dihydronaphthalene-3,6-diid-1-yl)-3,6-dihydronaphthalene-3,6-diid-2-ol;docosakis(yttrium) is sourced from PubChem (CID 59985034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).