(2R,3R)-2,3-dimethylpent-4-ynoic acid;yttrium

C7H9O2Y- — CID 134864639

IUPAC(2R,3R)-2,3-dimethylpent-4-ynoic acid;yttrium
SMILES[C-]#C[C@H](C)[C@@H](C)C(=O)O.[Y]
InChIInChI=1S/C7H9O2.Y/c1-4-5(2)6(3)7(8)9;/h5-6H,2-3H3,(H,8,9);/q-1;/t5-,6+;/m0./s1
InChIKeyBPQNLFJJTXUOND-RIHPBJNCSA-N
MW214.05 g/mol
LogP0.93
Rot. Bonds2

About (2R,3R)-2,3-dimethylpent-4-ynoic acid;yttrium

(2R,3R)-2,3-dimethylpent-4-ynoic acid;yttrium (PubChem CID 134864639) has the molecular formula C7H9O2Y- and a molecular weight of 214.05 g/mol. Its IUPAC name is (2R,3R)-2,3-dimethylpent-4-ynoic acid;yttrium.

Molecular Properties

Compound Name(2R,3R)-2,3-dimethylpent-4-ynoic acid;yttrium
PubChem CID134864639
Molecular FormulaC7H9O2Y-
Molecular Weight214.05 g/mol
Exact Mass213.97
IUPAC Name(2R,3R)-2,3-dimethylpent-4-ynoic acid;yttrium
SMILES[C-]#C[C@H](C)[C@@H](C)C(=O)O.[Y]
InChIInChI=1S/C7H9O2.Y/c1-4-5(2)6(3)7(8)9;/h5-6H,2-3H3,(H,8,9);/q-1;/t5-,6+;/m0./s1
InChIKeyBPQNLFJJTXUOND-RIHPBJNCSA-N
XLogP0.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.05
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dimethylpent-4-ynoic acid;yttrium?
The IUPAC name of (2R,3R)-2,3-dimethylpent-4-ynoic acid;yttrium (CID 134864639) is (2R,3R)-2,3-dimethylpent-4-ynoic acid;yttrium.
What is the SMILES notation for (2R,3R)-2,3-dimethylpent-4-ynoic acid;yttrium?
The canonical SMILES for (2R,3R)-2,3-dimethylpent-4-ynoic acid;yttrium is [C-]#C[C@H](C)[C@@H](C)C(=O)O.[Y].
What is the InChIKey of (2R,3R)-2,3-dimethylpent-4-ynoic acid;yttrium?
The InChIKey is BPQNLFJJTXUOND-RIHPBJNCSA-N. The full InChI is InChI=1S/C7H9O2.Y/c1-4-5(2)6(3)7(8)9;/h5-6H,2-3H3,(H,8,9);/q-1;/t5-,6+;/m0./s1.
What are the key properties of (2R,3R)-2,3-dimethylpent-4-ynoic acid;yttrium?
(2R,3R)-2,3-dimethylpent-4-ynoic acid;yttrium has a molecular weight of 214.05 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dimethylpent-4-ynoic acid;yttrium is sourced from PubChem (CID 134864639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).