2,4,5,5-tetramethylheptane;yttrium

C11H23Y- — CID 59996520

IUPAC2,4,5,5-tetramethylheptane;yttrium
SMILESCCC(C)(C)C(C)C[C-](C)C.[Y]
InChIInChI=1S/C11H23.Y/c1-7-11(5,6)10(4)8-9(2)3;/h10H,7-8H2,1-6H3;/q-1;
InChIKeySPEOALHVDABFIM-UHFFFAOYSA-N
MW244.21 g/mol
LogP4.06
Rot. Bonds4

About 2,4,5,5-tetramethylheptane;yttrium

2,4,5,5-tetramethylheptane;yttrium (PubChem CID 59996520) has the molecular formula C11H23Y- and a molecular weight of 244.21 g/mol. Its IUPAC name is 2,4,5,5-tetramethylheptane;yttrium.

Molecular Properties

Compound Name2,4,5,5-tetramethylheptane;yttrium
PubChem CID59996520
Molecular FormulaC11H23Y-
Molecular Weight244.21 g/mol
Exact Mass244.09
IUPAC Name2,4,5,5-tetramethylheptane;yttrium
SMILESCCC(C)(C)C(C)C[C-](C)C.[Y]
InChIInChI=1S/C11H23.Y/c1-7-11(5,6)10(4)8-9(2)3;/h10H,7-8H2,1-6H3;/q-1;
InChIKeySPEOALHVDABFIM-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,4,5,5-tetramethylheptane;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 2,4,5,5-tetramethylheptane;yttrium?
The IUPAC name of 2,4,5,5-tetramethylheptane;yttrium (CID 59996520) is 2,4,5,5-tetramethylheptane;yttrium.
What is the SMILES notation for 2,4,5,5-tetramethylheptane;yttrium?
The canonical SMILES for 2,4,5,5-tetramethylheptane;yttrium is CCC(C)(C)C(C)C[C-](C)C.[Y].
What is the InChIKey of 2,4,5,5-tetramethylheptane;yttrium?
The InChIKey is SPEOALHVDABFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23.Y/c1-7-11(5,6)10(4)8-9(2)3;/h10H,7-8H2,1-6H3;/q-1;.
What are the key properties of 2,4,5,5-tetramethylheptane;yttrium?
2,4,5,5-tetramethylheptane;yttrium has a molecular weight of 244.21 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,5-tetramethylheptane;yttrium is sourced from PubChem (CID 59996520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).