ethane;ethylbenzene;1-ethyl-2-methanidylbenzene;methane;propylbenzene;tris(yttrium)

C33H50Y3-6 — CID 159679425

IUPACethane;ethylbenzene;1-ethyl-2-methanidylbenzene;methane;propylbenzene;tris(yttrium)
SMILESC.CC.CC.CC.[CH2-]CCc1[c-]cccc1.[CH2-]Cc1[c-]cccc1.[CH2-]Cc1ccccc1[CH2-].[Y].[Y].[Y]
InChIInChI=1S/2C9H10.C8H8.3C2H6.CH4.3Y/c1-3-9-7-5-4-6-8(9)2;1-2-6-9-7-4-3-5-8-9;1-2-8-6-4-3-5-7-8;3*1-2;;;;/h4-7H,1-3H2;3-5,7H,1-2,6H2;3-6H,1-2H2;3*1-2H3;1H4;;;/q3*-2;;;;;;;
InChIKeyOZAJMDXBRRLQRT-UHFFFAOYSA-N
MW713.48 g/mol
LogP10.07
Rot. Bonds4

About ethane;ethylbenzene;1-ethyl-2-methanidylbenzene;methane;propylbenzene;tris(yttrium)

ethane;ethylbenzene;1-ethyl-2-methanidylbenzene;methane;propylbenzene;tris(yttrium) (PubChem CID 159679425) has the molecular formula C33H50Y3-6 and a molecular weight of 713.48 g/mol. Its IUPAC name is ethane;ethylbenzene;1-ethyl-2-methanidylbenzene;methane;propylbenzene;tris(yttrium).

Molecular Properties

Compound Nameethane;ethylbenzene;1-ethyl-2-methanidylbenzene;methane;propylbenzene;tris(yttrium)
PubChem CID159679425
Molecular FormulaC33H50Y3-6
Molecular Weight713.48 g/mol
Exact Mass713.11
IUPAC Nameethane;ethylbenzene;1-ethyl-2-methanidylbenzene;methane;propylbenzene;tris(yttrium)
SMILESC.CC.CC.CC.[CH2-]CCc1[c-]cccc1.[CH2-]Cc1[c-]cccc1.[CH2-]Cc1ccccc1[CH2-].[Y].[Y].[Y]
InChIInChI=1S/2C9H10.C8H8.3C2H6.CH4.3Y/c1-3-9-7-5-4-6-8(9)2;1-2-6-9-7-4-3-5-8-9;1-2-8-6-4-3-5-7-8;3*1-2;;;;/h4-7H,1-3H2;3-5,7H,1-2,6H2;3-6H,1-2H2;3*1-2H3;1H4;;;/q3*-2;;;;;;;
InChIKeyOZAJMDXBRRLQRT-UHFFFAOYSA-N
XLogP10.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.48
LogP ≤ 510.07
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

5,6-dimethanidylcyclohexa-1,3-diene;ethane;ethylbenzene;1-ethyl-2-methanidylbenzene;prop-1-enylbenzene;prop-2-enylbenzene;propylbenzene;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene;nonakis(yttrium)
CID 165005239
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CID 23570247
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ethane;N-methanidylaniline;yttrium
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CID 91866824

Frequently Asked Questions

What is the IUPAC name of ethane;ethylbenzene;1-ethyl-2-methanidylbenzene;methane;propylbenzene;tris(yttrium)?
The IUPAC name of ethane;ethylbenzene;1-ethyl-2-methanidylbenzene;methane;propylbenzene;tris(yttrium) (CID 159679425) is ethane;ethylbenzene;1-ethyl-2-methanidylbenzene;methane;propylbenzene;tris(yttrium).
What is the SMILES notation for ethane;ethylbenzene;1-ethyl-2-methanidylbenzene;methane;propylbenzene;tris(yttrium)?
The canonical SMILES for ethane;ethylbenzene;1-ethyl-2-methanidylbenzene;methane;propylbenzene;tris(yttrium) is C.CC.CC.CC.[CH2-]CCc1[c-]cccc1.[CH2-]Cc1[c-]cccc1.[CH2-]Cc1ccccc1[CH2-].[Y].[Y].[Y].
What is the InChIKey of ethane;ethylbenzene;1-ethyl-2-methanidylbenzene;methane;propylbenzene;tris(yttrium)?
The InChIKey is OZAJMDXBRRLQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H10.C8H8.3C2H6.CH4.3Y/c1-3-9-7-5-4-6-8(9)2;1-2-6-9-7-4-3-5-8-9;1-2-8-6-4-3-5-7-8;3*1-2;;;;/h4-7H,1-3H2;3-5,7H,1-2,6H2;3-6H,1-2H2;3*1-2H3;1H4;;;/q3*-2;;;;;;;.
What are the key properties of ethane;ethylbenzene;1-ethyl-2-methanidylbenzene;methane;propylbenzene;tris(yttrium)?
ethane;ethylbenzene;1-ethyl-2-methanidylbenzene;methane;propylbenzene;tris(yttrium) has a molecular weight of 713.48 g/mol, XLogP of 10.07, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethylbenzene;1-ethyl-2-methanidylbenzene;methane;propylbenzene;tris(yttrium) is sourced from PubChem (CID 159679425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).