(2S,3S)-3-hydroxy-2-methylbutanal;yttrium

C5H10O2Y — CID 59809466

IUPAC(2S,3S)-3-hydroxy-2-methylbutanal;yttrium
SMILESC[C@H](O)[C@H](C)C=O.[Y]
InChIInChI=1S/C5H10O2.Y/c1-4(3-6)5(2)7;/h3-5,7H,1-2H3;/t4-,5+;/m1./s1
InChIKeyIHPGWHRRQVSHGH-JBUOLDKXSA-N
MW191.04 g/mol
LogP0.20
Rot. Bonds2

About (2S,3S)-3-hydroxy-2-methylbutanal;yttrium

(2S,3S)-3-hydroxy-2-methylbutanal;yttrium (PubChem CID 59809466) has the molecular formula C5H10O2Y and a molecular weight of 191.04 g/mol. Its IUPAC name is (2S,3S)-3-hydroxy-2-methylbutanal;yttrium.

Molecular Properties

Compound Name(2S,3S)-3-hydroxy-2-methylbutanal;yttrium
PubChem CID59809466
Molecular FormulaC5H10O2Y
Molecular Weight191.04 g/mol
Exact Mass190.97
IUPAC Name(2S,3S)-3-hydroxy-2-methylbutanal;yttrium
SMILESC[C@H](O)[C@H](C)C=O.[Y]
InChIInChI=1S/C5H10O2.Y/c1-4(3-6)5(2)7;/h3-5,7H,1-2H3;/t4-,5+;/m1./s1
InChIKeyIHPGWHRRQVSHGH-JBUOLDKXSA-N
XLogP0.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.04
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-2-hydroxy-3-methylbutanedial
CID 130749047
2-hydroxy(1,2,3-13C3)propanal
CID 169442815
methane;3-methylbutan-2-ol;2-methylpropanal
CID 157103655
[(2S,3S,4R)-4-hydroxy-2-methyl-1-oxopentan-3-yl] acetate
CID 131863701
(2R,3S,4R)-3,4,5-trihydroxy-2-methylpentanal
CID 121397580
(2S,3R,4R,5S)-2,3,4,5-tetrahydroxy(1,2,3,4,5,6-13C6)hexanal
CID 131953208
(2R,3R,4S)-2,3,4,5-tetrahydroxyhexanal
CID 10855815
(2R)-2,3,4,5-tetrahydroxyhexanal
CID 71774580
(2R,3R,4R,5R)-2,3,4,5-tetrahydroxyhexanal
CID 6453351
hydrogen peroxide;2-methylpropanal
CID 174448714
(E)-2,3,4-trimethylhex-4-enal
CID 134888661
ethane;2,3,4,5-tetrahydroxyhexanal
CID 174774074

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-hydroxy-2-methylbutanal;yttrium?
The IUPAC name of (2S,3S)-3-hydroxy-2-methylbutanal;yttrium (CID 59809466) is (2S,3S)-3-hydroxy-2-methylbutanal;yttrium.
What is the SMILES notation for (2S,3S)-3-hydroxy-2-methylbutanal;yttrium?
The canonical SMILES for (2S,3S)-3-hydroxy-2-methylbutanal;yttrium is C[C@H](O)[C@H](C)C=O.[Y].
What is the InChIKey of (2S,3S)-3-hydroxy-2-methylbutanal;yttrium?
The InChIKey is IHPGWHRRQVSHGH-JBUOLDKXSA-N. The full InChI is InChI=1S/C5H10O2.Y/c1-4(3-6)5(2)7;/h3-5,7H,1-2H3;/t4-,5+;/m1./s1.
What are the key properties of (2S,3S)-3-hydroxy-2-methylbutanal;yttrium?
(2S,3S)-3-hydroxy-2-methylbutanal;yttrium has a molecular weight of 191.04 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-hydroxy-2-methylbutanal;yttrium is sourced from PubChem (CID 59809466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).