carbanide;ethane;1-ethyl-2-methylbenzene;yttrium

C12H21Y- — CID 165046421

IUPACcarbanide;ethane;1-ethyl-2-methylbenzene;yttrium
SMILESCC.CCc1ccccc1C.[CH3-].[Y]
InChIInChI=1S/C9H12.C2H6.CH3.Y/c1-3-9-7-5-4-6-8(9)2;1-2;;/h4-7H,3H2,1-2H3;1-2H3;1H3;/q;;-1;
InChIKeyUEXFGTQEEGXAKG-UHFFFAOYSA-N
MW254.21 g/mol
LogP4.03
Rot. Bonds1

About carbanide;ethane;1-ethyl-2-methylbenzene;yttrium

carbanide;ethane;1-ethyl-2-methylbenzene;yttrium (PubChem CID 165046421) has the molecular formula C12H21Y- and a molecular weight of 254.21 g/mol. Its IUPAC name is carbanide;ethane;1-ethyl-2-methylbenzene;yttrium.

Molecular Properties

Compound Namecarbanide;ethane;1-ethyl-2-methylbenzene;yttrium
PubChem CID165046421
Molecular FormulaC12H21Y-
Molecular Weight254.21 g/mol
Exact Mass254.07
IUPAC Namecarbanide;ethane;1-ethyl-2-methylbenzene;yttrium
SMILESCC.CCc1ccccc1C.[CH3-].[Y]
InChIInChI=1S/C9H12.C2H6.CH3.Y/c1-3-9-7-5-4-6-8(9)2;1-2;;/h4-7H,3H2,1-2H3;1-2H3;1H3;/q;;-1;
InChIKeyUEXFGTQEEGXAKG-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze carbanide;ethane;1-ethyl-2-methylbenzene;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butane;ethane;1-ethyl-2-methylbenzene;methane
CID 144514138
acetic acid;1-ethyl-2-methylbenzene
CID 67948051
1-ethyl-2-methylbenzene;sulfamide
CID 67800161
1-ethyl-2,3-dimethylbenzene;1-ethyl-2-methylbenzene
CID 158943282
1-ethyl-2-methylbenzene;propane;toluene
CID 159725880
1-ethyl-2-methylbenzene;phenol
CID 161311856
benzene;1,2-diethylbenzene;1,2-xylene
CID 174742983
ethane;N-ethyl-N,2-dimethylaniline;1-ethyl-2-methylbenzene
CID 159036477
1-ethyl-2-methylbenzene;4-(4-hydroxyphenyl)phenol
CID 174751633
1-[(2-ethylphenyl)methyl]-4-[(2-methylphenyl)methyl]benzene
CID 22919163
ethane;(2-methylphenyl)methanethiol
CID 142152334
(2-methylphenyl)methylazanium chloride
CID 26942

Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;1-ethyl-2-methylbenzene;yttrium?
The IUPAC name of carbanide;ethane;1-ethyl-2-methylbenzene;yttrium (CID 165046421) is carbanide;ethane;1-ethyl-2-methylbenzene;yttrium.
What is the SMILES notation for carbanide;ethane;1-ethyl-2-methylbenzene;yttrium?
The canonical SMILES for carbanide;ethane;1-ethyl-2-methylbenzene;yttrium is CC.CCc1ccccc1C.[CH3-].[Y].
What is the InChIKey of carbanide;ethane;1-ethyl-2-methylbenzene;yttrium?
The InChIKey is UEXFGTQEEGXAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C2H6.CH3.Y/c1-3-9-7-5-4-6-8(9)2;1-2;;/h4-7H,3H2,1-2H3;1-2H3;1H3;/q;;-1;.
What are the key properties of carbanide;ethane;1-ethyl-2-methylbenzene;yttrium?
carbanide;ethane;1-ethyl-2-methylbenzene;yttrium has a molecular weight of 254.21 g/mol, XLogP of 4.03, 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-2-methylbenzene;yttrium is sourced from PubChem (CID 165046421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).