carbanide;1-chloro-4-ethylbenzene-5-ide;ethane;yttrium

C11H17ClY-2 — CID 166096084

IUPACcarbanide;1-chloro-4-ethylbenzene-5-ide;ethane;yttrium
SMILESCC.CCc1[c-]cc(Cl)cc1.[CH3-].[Y]
InChIInChI=1S/C8H8Cl.C2H6.CH3.Y/c1-2-7-3-5-8(9)6-4-7;1-2;;/h3,5-6H,2H2,1H3;1-2H3;1H3;/q-1;;-1;
InChIKeyWHPCQSOVFZRYIF-UHFFFAOYSA-N
MW273.62 g/mol
LogP4.18
Rot. Bonds1

About carbanide;1-chloro-4-ethylbenzene-5-ide;ethane;yttrium

carbanide;1-chloro-4-ethylbenzene-5-ide;ethane;yttrium (PubChem CID 166096084) has the molecular formula C11H17ClY-2 and a molecular weight of 273.62 g/mol. Its IUPAC name is carbanide;1-chloro-4-ethylbenzene-5-ide;ethane;yttrium.

Molecular Properties

Compound Namecarbanide;1-chloro-4-ethylbenzene-5-ide;ethane;yttrium
PubChem CID166096084
Molecular FormulaC11H17ClY-2
Molecular Weight273.62 g/mol
Exact Mass273.01
IUPAC Namecarbanide;1-chloro-4-ethylbenzene-5-ide;ethane;yttrium
SMILESCC.CCc1[c-]cc(Cl)cc1.[CH3-].[Y]
InChIInChI=1S/C8H8Cl.C2H6.CH3.Y/c1-2-7-3-5-8(9)6-4-7;1-2;;/h3,5-6H,2H2,1H3;1-2H3;1H3;/q-1;;-1;
InChIKeyWHPCQSOVFZRYIF-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.62
LogP ≤ 54.18
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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Frequently Asked Questions

What is the IUPAC name of carbanide;1-chloro-4-ethylbenzene-5-ide;ethane;yttrium?
The IUPAC name of carbanide;1-chloro-4-ethylbenzene-5-ide;ethane;yttrium (CID 166096084) is carbanide;1-chloro-4-ethylbenzene-5-ide;ethane;yttrium.
What is the SMILES notation for carbanide;1-chloro-4-ethylbenzene-5-ide;ethane;yttrium?
The canonical SMILES for carbanide;1-chloro-4-ethylbenzene-5-ide;ethane;yttrium is CC.CCc1[c-]cc(Cl)cc1.[CH3-].[Y].
What is the InChIKey of carbanide;1-chloro-4-ethylbenzene-5-ide;ethane;yttrium?
The InChIKey is WHPCQSOVFZRYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl.C2H6.CH3.Y/c1-2-7-3-5-8(9)6-4-7;1-2;;/h3,5-6H,2H2,1H3;1-2H3;1H3;/q-1;;-1;.
What are the key properties of carbanide;1-chloro-4-ethylbenzene-5-ide;ethane;yttrium?
carbanide;1-chloro-4-ethylbenzene-5-ide;ethane;yttrium has a molecular weight of 273.62 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1-chloro-4-ethylbenzene-5-ide;ethane;yttrium is sourced from PubChem (CID 166096084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).