carbanide;ethane;1-ethyl-4-methylbenzene;methane;1,3-xylene;yttrium

C22H39Y- — CID 164981167

IUPACcarbanide;ethane;1-ethyl-4-methylbenzene;methane;1,3-xylene;yttrium
SMILESC.C.CC.CCc1ccc(C)cc1.Cc1cccc(C)c1.[CH3-].[Y]
InChIInChI=1S/C9H12.C8H10.C2H6.2CH4.CH3.Y/c1-3-9-6-4-8(2)5-7-9;1-7-4-3-5-8(2)6-7;1-2;;;;/h4-7H,3H2,1-2H3;3-6H,1-2H3;1-2H3;2*1H4;1H3;/q;;;;;-1;
InChIKeyHEOJCYUTAVDTNP-UHFFFAOYSA-N
MW392.46 g/mol
LogP7.61
Rot. Bonds1

About carbanide;ethane;1-ethyl-4-methylbenzene;methane;1,3-xylene;yttrium

carbanide;ethane;1-ethyl-4-methylbenzene;methane;1,3-xylene;yttrium (PubChem CID 164981167) has the molecular formula C22H39Y- and a molecular weight of 392.46 g/mol. Its IUPAC name is carbanide;ethane;1-ethyl-4-methylbenzene;methane;1,3-xylene;yttrium.

Molecular Properties

Compound Namecarbanide;ethane;1-ethyl-4-methylbenzene;methane;1,3-xylene;yttrium
PubChem CID164981167
Molecular FormulaC22H39Y-
Molecular Weight392.46 g/mol
Exact Mass392.21
IUPAC Namecarbanide;ethane;1-ethyl-4-methylbenzene;methane;1,3-xylene;yttrium
SMILESC.C.CC.CCc1ccc(C)cc1.Cc1cccc(C)c1.[CH3-].[Y]
InChIInChI=1S/C9H12.C8H10.C2H6.2CH4.CH3.Y/c1-3-9-6-4-8(2)5-7-9;1-7-4-3-5-8(2)6-7;1-2;;;;/h4-7H,3H2,1-2H3;3-6H,1-2H3;1-2H3;2*1H4;1H3;/q;;;;;-1;
InChIKeyHEOJCYUTAVDTNP-UHFFFAOYSA-N
XLogP7.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 57.61
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

1,3-diethylbenzene;1,4-diethylbenzene;methane;1,4-xylene
CID 158740154
ethylbenzene;toluene;1,2-xylene;1,3-xylene;1,4-xylene
CID 174313619
butane;methane;1,3-xylene;1,4-xylene
CID 159094623
1-ethyl-4-(3-methylphenyl)benzene
CID 12641077
methane;1,3-xylene;1,4-xylene
CID 161051420
ethane;1,3-xylene;1,4-xylene
CID 145425556
ethane;1-ethyl-3-methylbenzene;methane;propane
CID 161003738
8-ethyl-1,3-dimethylcyclotetradeca-1,3,5,7,9,11,13-heptaene
CID 91350329
ethane;bis(1-ethyl-3-methylbenzene)
CID 142878274
1-ethyl-4-methylcyclodeca-1,3,5,7,9-pentaene
CID 123858491
ethane;1-ethyl-4-methylbenzene;fluoromethane
CID 142146910
ethane;propane;1,3-xylene
CID 144528046

Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;1-ethyl-4-methylbenzene;methane;1,3-xylene;yttrium?
The IUPAC name of carbanide;ethane;1-ethyl-4-methylbenzene;methane;1,3-xylene;yttrium (CID 164981167) is carbanide;ethane;1-ethyl-4-methylbenzene;methane;1,3-xylene;yttrium.
What is the SMILES notation for carbanide;ethane;1-ethyl-4-methylbenzene;methane;1,3-xylene;yttrium?
The canonical SMILES for carbanide;ethane;1-ethyl-4-methylbenzene;methane;1,3-xylene;yttrium is C.C.CC.CCc1ccc(C)cc1.Cc1cccc(C)c1.[CH3-].[Y].
What is the InChIKey of carbanide;ethane;1-ethyl-4-methylbenzene;methane;1,3-xylene;yttrium?
The InChIKey is HEOJCYUTAVDTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C8H10.C2H6.2CH4.CH3.Y/c1-3-9-6-4-8(2)5-7-9;1-7-4-3-5-8(2)6-7;1-2;;;;/h4-7H,3H2,1-2H3;3-6H,1-2H3;1-2H3;2*1H4;1H3;/q;;;;;-1;.
What are the key properties of carbanide;ethane;1-ethyl-4-methylbenzene;methane;1,3-xylene;yttrium?
carbanide;ethane;1-ethyl-4-methylbenzene;methane;1,3-xylene;yttrium has a molecular weight of 392.46 g/mol, XLogP of 7.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;1-ethyl-4-methylbenzene;methane;1,3-xylene;yttrium is sourced from PubChem (CID 164981167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).