ethylbenzene;ethylcyclohexane;1-ethylpiperazin-4-ide;tris(1-ethylpiperidine);4-ethylpiperidin-1-ide;tris(vanadium);yttrium

C50H96N6V3Y-4 — CID 159666708

IUPACethylbenzene;ethylcyclohexane;1-ethylpiperazin-4-ide;tris(1-ethylpiperidine);4-ethylpiperidin-1-ide;tris(vanadium);yttrium
SMILESCCC1CC[CH-]CC1.CCC1CC[N-]CC1.CCN1CCCCC1.CCN1CCCCC1.CCN1CCCCC1.CCN1CC[N-]CC1.CCc1cc[c-]cc1.[V].[V].[V].[Y]
InChIInChI=1S/C8H15.C8H9.C7H14N.3C7H15N.C6H13N2.3V.Y/c2*1-2-8-6-4-3-5-7-8;1-2-7-3-5-8-6-4-7;3*1-2-8-6-4-3-5-7-8;1-2-8-5-3-7-4-6-8;;;;/h3,8H,2,4-7H2,1H3;4-7H,2H2,1H3;7H,2-6H2,1H3;3*2-7H2,1H3;2-6H2,1H3;;;;/q3*-1;;;;-1;;;;
InChIKeyRLJJRJFOAANXJD-UHFFFAOYSA-N
MW1023.10 g/mol
LogP12.18
Rot. Bonds7

About ethylbenzene;ethylcyclohexane;1-ethylpiperazin-4-ide;tris(1-ethylpiperidine);4-ethylpiperidin-1-ide;tris(vanadium);yttrium

ethylbenzene;ethylcyclohexane;1-ethylpiperazin-4-ide;tris(1-ethylpiperidine);4-ethylpiperidin-1-ide;tris(vanadium);yttrium (PubChem CID 159666708) has the molecular formula C50H96N6V3Y-4 and a molecular weight of 1023.10 g/mol. Its IUPAC name is ethylbenzene;ethylcyclohexane;1-ethylpiperazin-4-ide;tris(1-ethylpiperidine);4-ethylpiperidin-1-ide;tris(vanadium);yttrium.

Molecular Properties

Compound Nameethylbenzene;ethylcyclohexane;1-ethylpiperazin-4-ide;tris(1-ethylpiperidine);4-ethylpiperidin-1-ide;tris(vanadium);yttrium
PubChem CID159666708
Molecular FormulaC50H96N6V3Y-4
Molecular Weight1023.10 g/mol
Exact Mass1022.51
IUPAC Nameethylbenzene;ethylcyclohexane;1-ethylpiperazin-4-ide;tris(1-ethylpiperidine);4-ethylpiperidin-1-ide;tris(vanadium);yttrium
SMILESCCC1CC[CH-]CC1.CCC1CC[N-]CC1.CCN1CCCCC1.CCN1CCCCC1.CCN1CCCCC1.CCN1CC[N-]CC1.CCc1cc[c-]cc1.[V].[V].[V].[Y]
InChIInChI=1S/C8H15.C8H9.C7H14N.3C7H15N.C6H13N2.3V.Y/c2*1-2-8-6-4-3-5-7-8;1-2-7-3-5-8-6-4-7;3*1-2-8-6-4-3-5-7-8;1-2-8-5-3-7-4-6-8;;;;/h3,8H,2,4-7H2,1H3;4-7H,2H2,1H3;7H,2-6H2,1H3;3*2-7H2,1H3;2-6H2,1H3;;;;/q3*-1;;;;-1;;;;
InChIKeyRLJJRJFOAANXJD-UHFFFAOYSA-N
XLogP12.18
TPSA41.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001023.10
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 ethylbenzene;ethylcyclohexane;1-ethylpiperazin-4-ide;tris(1-ethylpiperidine);4-ethylpiperidin-1-ide;tris(vanadium);yttrium?
The IUPAC name of ethylbenzene;ethylcyclohexane;1-ethylpiperazin-4-ide;tris(1-ethylpiperidine);4-ethylpiperidin-1-ide;tris(vanadium);yttrium (CID 159666708) is ethylbenzene;ethylcyclohexane;1-ethylpiperazin-4-ide;tris(1-ethylpiperidine);4-ethylpiperidin-1-ide;tris(vanadium);yttrium.
What is the SMILES notation for ethylbenzene;ethylcyclohexane;1-ethylpiperazin-4-ide;tris(1-ethylpiperidine);4-ethylpiperidin-1-ide;tris(vanadium);yttrium?
The canonical SMILES for ethylbenzene;ethylcyclohexane;1-ethylpiperazin-4-ide;tris(1-ethylpiperidine);4-ethylpiperidin-1-ide;tris(vanadium);yttrium is CCC1CC[CH-]CC1.CCC1CC[N-]CC1.CCN1CCCCC1.CCN1CCCCC1.CCN1CCCCC1.CCN1CC[N-]CC1.CCc1cc[c-]cc1.[V].[V].[V].[Y].
What is the InChIKey of ethylbenzene;ethylcyclohexane;1-ethylpiperazin-4-ide;tris(1-ethylpiperidine);4-ethylpiperidin-1-ide;tris(vanadium);yttrium?
The InChIKey is RLJJRJFOAANXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15.C8H9.C7H14N.3C7H15N.C6H13N2.3V.Y/c2*1-2-8-6-4-3-5-7-8;1-2-7-3-5-8-6-4-7;3*1-2-8-6-4-3-5-7-8;1-2-8-5-3-7-4-6-8;;;;/h3,8H,2,4-7H2,1H3;4-7H,2H2,1H3;7H,2-6H2,1H3;3*2-7H2,1H3;2-6H2,1H3;;;;/q3*-1;;;;-1;;;;.
What are the key properties of ethylbenzene;ethylcyclohexane;1-ethylpiperazin-4-ide;tris(1-ethylpiperidine);4-ethylpiperidin-1-ide;tris(vanadium);yttrium?
ethylbenzene;ethylcyclohexane;1-ethylpiperazin-4-ide;tris(1-ethylpiperidine);4-ethylpiperidin-1-ide;tris(vanadium);yttrium has a molecular weight of 1023.10 g/mol, XLogP of 12.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene;ethylcyclohexane;1-ethylpiperazin-4-ide;tris(1-ethylpiperidine);4-ethylpiperidin-1-ide;tris(vanadium);yttrium is sourced from PubChem (CID 159666708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).