ethane;phenylbenzene;yttrium

C20H32Y-2 — CID 161119758

IUPACethane;phenylbenzene;yttrium
SMILESCC.CC.CC.CC.[Y].[c-]1ccccc1-c1[c-]cccc1
InChIInChI=1S/C12H8.4C2H6.Y/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;4*1-2;/h1-7,9H;4*1-2H3;/q-2;;;;;
InChIKeySAWPZRCEMAWQOF-UHFFFAOYSA-N
MW361.38 g/mol
LogP7.06
Rot. Bonds1

About ethane;phenylbenzene;yttrium

ethane;phenylbenzene;yttrium (PubChem CID 161119758) has the molecular formula C20H32Y-2 and a molecular weight of 361.38 g/mol. Its IUPAC name is ethane;phenylbenzene;yttrium.

Molecular Properties

Compound Nameethane;phenylbenzene;yttrium
PubChem CID161119758
Molecular FormulaC20H32Y-2
Molecular Weight361.38 g/mol
Exact Mass361.16
IUPAC Nameethane;phenylbenzene;yttrium
SMILESCC.CC.CC.CC.[Y].[c-]1ccccc1-c1[c-]cccc1
InChIInChI=1S/C12H8.4C2H6.Y/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;4*1-2;/h1-7,9H;4*1-2H3;/q-2;;;;;
InChIKeySAWPZRCEMAWQOF-UHFFFAOYSA-N
XLogP7.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.38
LogP ≤ 57.06
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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CID 153293138
chlororuthenium(2+);phenylbenzene;tris(trimethylphosphanium)
CID 58599965
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CID 160503199
methane;1-methyltriphenylene;phenylbenzene;bis(yttrium)
CID 172624920
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CID 157288339
2,5-di(phenyl)-1,6-dihydronaphthalene-1,6-diide;ethane;tris(yttrium)
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Frequently Asked Questions

What is the IUPAC name of ethane;phenylbenzene;yttrium?
The IUPAC name of ethane;phenylbenzene;yttrium (CID 161119758) is ethane;phenylbenzene;yttrium.
What is the SMILES notation for ethane;phenylbenzene;yttrium?
The canonical SMILES for ethane;phenylbenzene;yttrium is CC.CC.CC.CC.[Y].[c-]1ccccc1-c1[c-]cccc1.
What is the InChIKey of ethane;phenylbenzene;yttrium?
The InChIKey is SAWPZRCEMAWQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8.4C2H6.Y/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;4*1-2;/h1-7,9H;4*1-2H3;/q-2;;;;;.
What are the key properties of ethane;phenylbenzene;yttrium?
ethane;phenylbenzene;yttrium has a molecular weight of 361.38 g/mol, XLogP of 7.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;phenylbenzene;yttrium is sourced from PubChem (CID 161119758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).