ethane;(2-methyl-3-phenylpropyl)benzene;tungsten;bis(yttrium)

C20H25WY2-5 — CID 58811028

IUPACethane;(2-methyl-3-phenylpropyl)benzene;tungsten;bis(yttrium)
SMILESC[C-](Cc1c[c-]ccc1)Cc1c[c-]ccc1.[CH2-]C.[CH2-]C.[W].[Y].[Y]
InChIInChI=1S/C16H15.2C2H5.W.2Y/c1-14(12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16;2*1-2;;;/h2-4,6,8-11H,12-13H2,1H3;2*1H2,2H3;;;/q-3;2*-1;;;
InChIKeyYKGHHEQEYLXXQX-UHFFFAOYSA-N
MW627.07 g/mol
LogP5.34
Rot. Bonds4

About ethane;(2-methyl-3-phenylpropyl)benzene;tungsten;bis(yttrium)

ethane;(2-methyl-3-phenylpropyl)benzene;tungsten;bis(yttrium) (PubChem CID 58811028) has the molecular formula C20H25WY2-5 and a molecular weight of 627.07 g/mol. Its IUPAC name is ethane;(2-methyl-3-phenylpropyl)benzene;tungsten;bis(yttrium).

Molecular Properties

Compound Nameethane;(2-methyl-3-phenylpropyl)benzene;tungsten;bis(yttrium)
PubChem CID58811028
Molecular FormulaC20H25WY2-5
Molecular Weight627.07 g/mol
Exact Mass626.96
IUPAC Nameethane;(2-methyl-3-phenylpropyl)benzene;tungsten;bis(yttrium)
SMILESC[C-](Cc1c[c-]ccc1)Cc1c[c-]ccc1.[CH2-]C.[CH2-]C.[W].[Y].[Y]
InChIInChI=1S/C16H15.2C2H5.W.2Y/c1-14(12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16;2*1-2;;;/h2-4,6,8-11H,12-13H2,1H3;2*1H2,2H3;;;/q-3;2*-1;;;
InChIKeyYKGHHEQEYLXXQX-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.07
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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methylbenzene;tungsten
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2-methylbutylbenzene;tungsten
CID 58566927
carbanide;methylbenzene;propane;yttrium
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tert-butylbenzene;2-methylpropane;tungsten(2+)
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CID 15973074

Frequently Asked Questions

What is the IUPAC name of ethane;(2-methyl-3-phenylpropyl)benzene;tungsten;bis(yttrium)?
The IUPAC name of ethane;(2-methyl-3-phenylpropyl)benzene;tungsten;bis(yttrium) (CID 58811028) is ethane;(2-methyl-3-phenylpropyl)benzene;tungsten;bis(yttrium).
What is the SMILES notation for ethane;(2-methyl-3-phenylpropyl)benzene;tungsten;bis(yttrium)?
The canonical SMILES for ethane;(2-methyl-3-phenylpropyl)benzene;tungsten;bis(yttrium) is C[C-](Cc1c[c-]ccc1)Cc1c[c-]ccc1.[CH2-]C.[CH2-]C.[W].[Y].[Y].
What is the InChIKey of ethane;(2-methyl-3-phenylpropyl)benzene;tungsten;bis(yttrium)?
The InChIKey is YKGHHEQEYLXXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15.2C2H5.W.2Y/c1-14(12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16;2*1-2;;;/h2-4,6,8-11H,12-13H2,1H3;2*1H2,2H3;;;/q-3;2*-1;;;.
What are the key properties of ethane;(2-methyl-3-phenylpropyl)benzene;tungsten;bis(yttrium)?
ethane;(2-methyl-3-phenylpropyl)benzene;tungsten;bis(yttrium) has a molecular weight of 627.07 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2-methyl-3-phenylpropyl)benzene;tungsten;bis(yttrium) is sourced from PubChem (CID 58811028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).