(4R)-4-methanidyl-2,2,4,6,6-pentamethyloctane;yttrium

C14H29Y- — CID 58193623

IUPAC(4R)-4-methanidyl-2,2,4,6,6-pentamethyloctane;yttrium
SMILES[CH2-][C@@](C)(CC(C)(C)C)CC(C)(C)CC.[Y]
InChIInChI=1S/C14H29.Y/c1-9-13(5,6)11-14(7,8)10-12(2,3)4;/h7,9-11H2,1-6,8H3;/q-1;/t14-;/m1./s1
InChIKeyMZEJLRPRHMCOCQ-PFEQFJNWSA-N
MW286.29 g/mol
LogP5.09
Rot. Bonds4

About (4R)-4-methanidyl-2,2,4,6,6-pentamethyloctane;yttrium

(4R)-4-methanidyl-2,2,4,6,6-pentamethyloctane;yttrium (PubChem CID 58193623) has the molecular formula C14H29Y- and a molecular weight of 286.29 g/mol. Its IUPAC name is (4R)-4-methanidyl-2,2,4,6,6-pentamethyloctane;yttrium.

Molecular Properties

Compound Name(4R)-4-methanidyl-2,2,4,6,6-pentamethyloctane;yttrium
PubChem CID58193623
Molecular FormulaC14H29Y-
Molecular Weight286.29 g/mol
Exact Mass286.13
IUPAC Name(4R)-4-methanidyl-2,2,4,6,6-pentamethyloctane;yttrium
SMILES[CH2-][C@@](C)(CC(C)(C)C)CC(C)(C)CC.[Y]
InChIInChI=1S/C14H29.Y/c1-9-13(5,6)11-14(7,8)10-12(2,3)4;/h7,9-11H2,1-6,8H3;/q-1;/t14-;/m1./s1
InChIKeyMZEJLRPRHMCOCQ-PFEQFJNWSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.29
LogP ≤ 55.09
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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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methanidyl-2,2,4,6,6-pentamethyloctane;yttrium?
The IUPAC name of (4R)-4-methanidyl-2,2,4,6,6-pentamethyloctane;yttrium (CID 58193623) is (4R)-4-methanidyl-2,2,4,6,6-pentamethyloctane;yttrium.
What is the SMILES notation for (4R)-4-methanidyl-2,2,4,6,6-pentamethyloctane;yttrium?
The canonical SMILES for (4R)-4-methanidyl-2,2,4,6,6-pentamethyloctane;yttrium is [CH2-][C@@](C)(CC(C)(C)C)CC(C)(C)CC.[Y].
What is the InChIKey of (4R)-4-methanidyl-2,2,4,6,6-pentamethyloctane;yttrium?
The InChIKey is MZEJLRPRHMCOCQ-PFEQFJNWSA-N. The full InChI is InChI=1S/C14H29.Y/c1-9-13(5,6)11-14(7,8)10-12(2,3)4;/h7,9-11H2,1-6,8H3;/q-1;/t14-;/m1./s1.
What are the key properties of (4R)-4-methanidyl-2,2,4,6,6-pentamethyloctane;yttrium?
(4R)-4-methanidyl-2,2,4,6,6-pentamethyloctane;yttrium has a molecular weight of 286.29 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methanidyl-2,2,4,6,6-pentamethyloctane;yttrium is sourced from PubChem (CID 58193623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).