carbanide;methane;2,2,3,3-tetramethylbutylbenzene;yttrium

C17H33Y- — CID 159776483

IUPACcarbanide;methane;2,2,3,3-tetramethylbutylbenzene;yttrium
SMILESC.C.CC(C)(C)C(C)(C)Cc1ccccc1.[CH3-].[Y]
InChIInChI=1S/C14H22.2CH4.CH3.Y/c1-13(2,3)14(4,5)11-12-9-7-6-8-10-12;;;;/h6-10H,11H2,1-5H3;2*1H4;1H3;/q;;;-1;
InChIKeyFGAYIWPWSTXGRK-UHFFFAOYSA-N
MW326.36 g/mol
LogP6.02
Rot. Bonds2

About carbanide;methane;2,2,3,3-tetramethylbutylbenzene;yttrium

carbanide;methane;2,2,3,3-tetramethylbutylbenzene;yttrium (PubChem CID 159776483) has the molecular formula C17H33Y- and a molecular weight of 326.36 g/mol. Its IUPAC name is carbanide;methane;2,2,3,3-tetramethylbutylbenzene;yttrium.

Molecular Properties

Compound Namecarbanide;methane;2,2,3,3-tetramethylbutylbenzene;yttrium
PubChem CID159776483
Molecular FormulaC17H33Y-
Molecular Weight326.36 g/mol
Exact Mass326.16
IUPAC Namecarbanide;methane;2,2,3,3-tetramethylbutylbenzene;yttrium
SMILESC.C.CC(C)(C)C(C)(C)Cc1ccccc1.[CH3-].[Y]
InChIInChI=1S/C14H22.2CH4.CH3.Y/c1-13(2,3)14(4,5)11-12-9-7-6-8-10-12;;;;/h6-10H,11H2,1-5H3;2*1H4;1H3;/q;;;-1;
InChIKeyFGAYIWPWSTXGRK-UHFFFAOYSA-N
XLogP6.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.36
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze carbanide;methane;2,2,3,3-tetramethylbutylbenzene;yttrium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbanide;methane;2,2,3,3-tetramethylbutylbenzene;yttrium?
The IUPAC name of carbanide;methane;2,2,3,3-tetramethylbutylbenzene;yttrium (CID 159776483) is carbanide;methane;2,2,3,3-tetramethylbutylbenzene;yttrium.
What is the SMILES notation for carbanide;methane;2,2,3,3-tetramethylbutylbenzene;yttrium?
The canonical SMILES for carbanide;methane;2,2,3,3-tetramethylbutylbenzene;yttrium is C.C.CC(C)(C)C(C)(C)Cc1ccccc1.[CH3-].[Y].
What is the InChIKey of carbanide;methane;2,2,3,3-tetramethylbutylbenzene;yttrium?
The InChIKey is FGAYIWPWSTXGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22.2CH4.CH3.Y/c1-13(2,3)14(4,5)11-12-9-7-6-8-10-12;;;;/h6-10H,11H2,1-5H3;2*1H4;1H3;/q;;;-1;.
What are the key properties of carbanide;methane;2,2,3,3-tetramethylbutylbenzene;yttrium?
carbanide;methane;2,2,3,3-tetramethylbutylbenzene;yttrium has a molecular weight of 326.36 g/mol, XLogP of 6.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;methane;2,2,3,3-tetramethylbutylbenzene;yttrium is sourced from PubChem (CID 159776483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).