(3-ethylbenzene-5-id-1-yl)methanol;tungsten;yttrium

C9H11OW2Y- — CID 161087005

IUPAC(3-ethylbenzene-5-id-1-yl)methanol;tungsten;yttrium
SMILESCCc1c[c-]cc(CO)c1.[W].[W].[Y]
InChIInChI=1S/C9H11O.2W.Y/c1-2-8-4-3-5-9(6-8)7-10;;;/h4-6,10H,2,7H2,1H3;;;/q-1;;;
InChIKeyGGELWIQOSWFYAG-UHFFFAOYSA-N
MW591.77 g/mol
LogP1.53
Rot. Bonds2

About (3-ethylbenzene-5-id-1-yl)methanol;tungsten;yttrium

(3-ethylbenzene-5-id-1-yl)methanol;tungsten;yttrium (PubChem CID 161087005) has the molecular formula C9H11OW2Y- and a molecular weight of 591.77 g/mol. Its IUPAC name is (3-ethylbenzene-5-id-1-yl)methanol;tungsten;yttrium.

Molecular Properties

Compound Name(3-ethylbenzene-5-id-1-yl)methanol;tungsten;yttrium
PubChem CID161087005
Molecular FormulaC9H11OW2Y-
Molecular Weight591.77 g/mol
Exact Mass591.89
IUPAC Name(3-ethylbenzene-5-id-1-yl)methanol;tungsten;yttrium
SMILESCCc1c[c-]cc(CO)c1.[W].[W].[Y]
InChIInChI=1S/C9H11O.2W.Y/c1-2-8-4-3-5-9(6-8)7-10;;;/h4-6,10H,2,7H2,1H3;;;/q-1;;;
InChIKeyGGELWIQOSWFYAG-UHFFFAOYSA-N
XLogP1.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500591.77
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (3-ethylbenzene-5-id-1-yl)methanol;tungsten;yttrium?
The IUPAC name of (3-ethylbenzene-5-id-1-yl)methanol;tungsten;yttrium (CID 161087005) is (3-ethylbenzene-5-id-1-yl)methanol;tungsten;yttrium.
What is the SMILES notation for (3-ethylbenzene-5-id-1-yl)methanol;tungsten;yttrium?
The canonical SMILES for (3-ethylbenzene-5-id-1-yl)methanol;tungsten;yttrium is CCc1c[c-]cc(CO)c1.[W].[W].[Y].
What is the InChIKey of (3-ethylbenzene-5-id-1-yl)methanol;tungsten;yttrium?
The InChIKey is GGELWIQOSWFYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O.2W.Y/c1-2-8-4-3-5-9(6-8)7-10;;;/h4-6,10H,2,7H2,1H3;;;/q-1;;;.
What are the key properties of (3-ethylbenzene-5-id-1-yl)methanol;tungsten;yttrium?
(3-ethylbenzene-5-id-1-yl)methanol;tungsten;yttrium has a molecular weight of 591.77 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylbenzene-5-id-1-yl)methanol;tungsten;yttrium is sourced from PubChem (CID 161087005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).