ethane;2-methylhexane;2-methylhexane;3-methyl-1H-imidazol-3-ium;methyl(4-methylpentyl)azanide;1-methylpyridin-1-ium;tetrakis(yttrium)

C33H68N4Y4+2 — CID 158499664

IUPACethane;2-methylhexane;2-methylhexane;3-methyl-1H-imidazol-3-ium;methyl(4-methylpentyl)azanide;1-methylpyridin-1-ium;tetrakis(yttrium)
SMILESCC.CCCCC(C)C.C[N-]CCCC(C)C.C[n+]1cc[nH]c1.C[n+]1ccccc1.[CH2+]CCCC(C)C.[Y].[Y].[Y].[Y]
InChIInChI=1S/C7H16N.C7H16.C7H15.C6H8N.C4H6N2.C2H6.4Y/c1-7(2)5-4-6-8-3;2*1-4-5-6-7(2)3;1-7-5-3-2-4-6-7;1-6-3-2-5-4-6;1-2;;;;/h7H,4-6H2,1-3H3;7H,4-6H2,1-3H3;7H,1,4-6H2,2-3H3;2-6H,1H3;2-4H,1H3;1-2H3;;;;/q-1;;2*+1;;;;;;/p+1
InChIKeyNRIQRQALSYAPIW-UHFFFAOYSA-O
MW876.56 g/mol
LogP9.27
Rot. Bonds10

About ethane;2-methylhexane;2-methylhexane;3-methyl-1H-imidazol-3-ium;methyl(4-methylpentyl)azanide;1-methylpyridin-1-ium;tetrakis(yttrium)

ethane;2-methylhexane;2-methylhexane;3-methyl-1H-imidazol-3-ium;methyl(4-methylpentyl)azanide;1-methylpyridin-1-ium;tetrakis(yttrium) (PubChem CID 158499664) has the molecular formula C33H68N4Y4+2 and a molecular weight of 876.56 g/mol. Its IUPAC name is ethane;2-methylhexane;2-methylhexane;3-methyl-1H-imidazol-3-ium;methyl(4-methylpentyl)azanide;1-methylpyridin-1-ium;tetrakis(yttrium).

Molecular Properties

Compound Nameethane;2-methylhexane;2-methylhexane;3-methyl-1H-imidazol-3-ium;methyl(4-methylpentyl)azanide;1-methylpyridin-1-ium;tetrakis(yttrium)
PubChem CID158499664
Molecular FormulaC33H68N4Y4+2
Molecular Weight876.56 g/mol
Exact Mass876.17
IUPAC Nameethane;2-methylhexane;2-methylhexane;3-methyl-1H-imidazol-3-ium;methyl(4-methylpentyl)azanide;1-methylpyridin-1-ium;tetrakis(yttrium)
SMILESCC.CCCCC(C)C.C[N-]CCCC(C)C.C[n+]1cc[nH]c1.C[n+]1ccccc1.[CH2+]CCCC(C)C.[Y].[Y].[Y].[Y]
InChIInChI=1S/C7H16N.C7H16.C7H15.C6H8N.C4H6N2.C2H6.4Y/c1-7(2)5-4-6-8-3;2*1-4-5-6-7(2)3;1-7-5-3-2-4-6-7;1-6-3-2-5-4-6;1-2;;;;/h7H,4-6H2,1-3H3;7H,4-6H2,1-3H3;7H,1,4-6H2,2-3H3;2-6H,1H3;2-4H,1H3;1-2H3;;;;/q-1;;2*+1;;;;;;/p+1
InChIKeyNRIQRQALSYAPIW-UHFFFAOYSA-O
XLogP9.27
TPSA37.65 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500876.56
LogP ≤ 59.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1H-imidazol-3-ium;palladium(2+)
CID 87465716
3-methyl-1H-imidazol-3-ium;1-propoxypropane;bromide
CID 172827674
3-methyl-1H-imidazol-3-ium;oxalic acid;chloride
CID 175511811
ethane;2-methylhexane;propane
CID 144516512
ethane;hexane;2-methylhexane
CID 142051007
3-(7-methyloctan-2-yl)-1H-imidazol-3-ium
CID 87992028
heptadecyl 3-hydroxypropanoate;3-methyl-1H-imidazol-3-ium;chloride
CID 172737885
3-(5-methylnonan-4-yl)-1H-imidazol-3-ium
CID 66963221
3-(2-methyloctan-4-yl)-1H-imidazol-3-ium tetrafluoroborate
CID 175301777
2-methylpropane;1-methylpyridin-1-ium
CID 161367015
2-methylhexane;propane
CID 143695748
2-methylhexane;dihydrate
CID 155319003

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylhexane;2-methylhexane;3-methyl-1H-imidazol-3-ium;methyl(4-methylpentyl)azanide;1-methylpyridin-1-ium;tetrakis(yttrium)?
The IUPAC name of ethane;2-methylhexane;2-methylhexane;3-methyl-1H-imidazol-3-ium;methyl(4-methylpentyl)azanide;1-methylpyridin-1-ium;tetrakis(yttrium) (CID 158499664) is ethane;2-methylhexane;2-methylhexane;3-methyl-1H-imidazol-3-ium;methyl(4-methylpentyl)azanide;1-methylpyridin-1-ium;tetrakis(yttrium).
What is the SMILES notation for ethane;2-methylhexane;2-methylhexane;3-methyl-1H-imidazol-3-ium;methyl(4-methylpentyl)azanide;1-methylpyridin-1-ium;tetrakis(yttrium)?
The canonical SMILES for ethane;2-methylhexane;2-methylhexane;3-methyl-1H-imidazol-3-ium;methyl(4-methylpentyl)azanide;1-methylpyridin-1-ium;tetrakis(yttrium) is CC.CCCCC(C)C.C[N-]CCCC(C)C.C[n+]1cc[nH]c1.C[n+]1ccccc1.[CH2+]CCCC(C)C.[Y].[Y].[Y].[Y].
What is the InChIKey of ethane;2-methylhexane;2-methylhexane;3-methyl-1H-imidazol-3-ium;methyl(4-methylpentyl)azanide;1-methylpyridin-1-ium;tetrakis(yttrium)?
The InChIKey is NRIQRQALSYAPIW-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H16N.C7H16.C7H15.C6H8N.C4H6N2.C2H6.4Y/c1-7(2)5-4-6-8-3;2*1-4-5-6-7(2)3;1-7-5-3-2-4-6-7;1-6-3-2-5-4-6;1-2;;;;/h7H,4-6H2,1-3H3;7H,4-6H2,1-3H3;7H,1,4-6H2,2-3H3;2-6H,1H3;2-4H,1H3;1-2H3;;;;/q-1;;2*+1;;;;;;/p+1.
What are the key properties of ethane;2-methylhexane;2-methylhexane;3-methyl-1H-imidazol-3-ium;methyl(4-methylpentyl)azanide;1-methylpyridin-1-ium;tetrakis(yttrium)?
ethane;2-methylhexane;2-methylhexane;3-methyl-1H-imidazol-3-ium;methyl(4-methylpentyl)azanide;1-methylpyridin-1-ium;tetrakis(yttrium) has a molecular weight of 876.56 g/mol, XLogP of 9.27, 10 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylhexane;2-methylhexane;3-methyl-1H-imidazol-3-ium;methyl(4-methylpentyl)azanide;1-methylpyridin-1-ium;tetrakis(yttrium) is sourced from PubChem (CID 158499664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).