methyl 2-ethylbutanoate;yttrium

C7H12O2Y-2 — CID 155577216

IUPACmethyl 2-ethylbutanoate;yttrium
SMILES[CH2-]CC(C[CH2-])C(=O)OC.[Y]
InChIInChI=1S/C7H12O2.Y/c1-4-6(5-2)7(8)9-3;/h6H,1-2,4-5H2,3H3;/q-2;
InChIKeyGRIDDFFMMNVLIB-UHFFFAOYSA-N
MW217.08 g/mol
LogP1.22
Rot. Bonds3

About methyl 2-ethylbutanoate;yttrium

methyl 2-ethylbutanoate;yttrium (PubChem CID 155577216) has the molecular formula C7H12O2Y-2 and a molecular weight of 217.08 g/mol. Its IUPAC name is methyl 2-ethylbutanoate;yttrium.

Molecular Properties

Compound Namemethyl 2-ethylbutanoate;yttrium
PubChem CID155577216
Molecular FormulaC7H12O2Y-2
Molecular Weight217.08 g/mol
Exact Mass216.99
IUPAC Namemethyl 2-ethylbutanoate;yttrium
SMILES[CH2-]CC(C[CH2-])C(=O)OC.[Y]
InChIInChI=1S/C7H12O2.Y/c1-4-6(5-2)7(8)9-3;/h6H,1-2,4-5H2,3H3;/q-2;
InChIKeyGRIDDFFMMNVLIB-UHFFFAOYSA-N
XLogP1.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.08
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-2-(hydroxymethyl)-4-methylpentanoate
CID 88576332
dimethyl 2-[(dimethylamino)methyl]butanedioate
CID 11106437
methyl 2-(aminomethyl)pentanoate
CID 65220226
methyl 4-bromo-2-(bromomethyl)butanoate
CID 19010950
methyl 2-(hydroxymethyl)-4,4-dimethylpentanoate
CID 86048899
dimethyl (2R,4S)-2-ethyl-4-methylpentanedioate
CID 101071261
methyl 3-propoxy-2-(propoxymethyl)propanoate
CID 176614670
methyl 2-undecyltridecanoate
CID 176610383
methyl 4-chloro-2-ethyl-4-oxobutanoate
CID 21338185
methyl 2-methanidylpropanoate;zinc
CID 170330092
methyl 2-iodo-2-sulfanylacetate
CID 140524293
(1-methoxy-1-oxopropan-2-yl)azanium chloride
CID 10931506

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethylbutanoate;yttrium?
The IUPAC name of methyl 2-ethylbutanoate;yttrium (CID 155577216) is methyl 2-ethylbutanoate;yttrium.
What is the SMILES notation for methyl 2-ethylbutanoate;yttrium?
The canonical SMILES for methyl 2-ethylbutanoate;yttrium is [CH2-]CC(C[CH2-])C(=O)OC.[Y].
What is the InChIKey of methyl 2-ethylbutanoate;yttrium?
The InChIKey is GRIDDFFMMNVLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.Y/c1-4-6(5-2)7(8)9-3;/h6H,1-2,4-5H2,3H3;/q-2;.
What are the key properties of methyl 2-ethylbutanoate;yttrium?
methyl 2-ethylbutanoate;yttrium has a molecular weight of 217.08 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethylbutanoate;yttrium is sourced from PubChem (CID 155577216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).