(2R,3R)-2-hydroxy-3-methylpentanal

C6H12O2 — CID 89028923

IUPAC(2R,3R)-2-hydroxy-3-methylpentanal
SMILESCC[C@@H](C)[C@@H](O)C=O
InChIInChI=1S/C6H12O2/c1-3-5(2)6(8)4-7/h4-6,8H,3H2,1-2H3/t5-,6+/m1/s1
InChIKeyIBQPEMCNMXJFSB-RITPCOANSA-N
MW116.16 g/mol
LogP0.59
Rot. Bonds3

About (2R,3R)-2-hydroxy-3-methylpentanal

(2R,3R)-2-hydroxy-3-methylpentanal (PubChem CID 89028923) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is (2R,3R)-2-hydroxy-3-methylpentanal.

Molecular Properties

Compound Name(2R,3R)-2-hydroxy-3-methylpentanal
PubChem CID89028923
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name(2R,3R)-2-hydroxy-3-methylpentanal
SMILESCC[C@@H](C)[C@@H](O)C=O
InChIInChI=1S/C6H12O2/c1-3-5(2)6(8)4-7/h4-6,8H,3H2,1-2H3/t5-,6+/m1/s1
InChIKeyIBQPEMCNMXJFSB-RITPCOANSA-N
XLogP0.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.59
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

2-hydroxybutanal;silane;hydrate
CID 174946258
2-hydroxy-3,7,11,15-tetramethylhexadecanal
CID 91588930
(2R,3S)-2-hydroxy-3-methylbutanedial
CID 130749047
(2S,3R)-3-methylpentan-2-ol
CID 6993006
3-hydroxy-2,5-dimethylheptanal
CID 87291844
(2R,3S)-2-methoxy-3-methylpentanal
CID 124636649
acetaldehyde;butan-2-ol;2-methylpropane
CID 174321366
4-methylhex-1-en-3-ol;tris(2-methylprop-2-enoic acid)
CID 174398632
(4R)-4-aminooxy-2,3,5-trihydroxyheptanal
CID 118983712
2-hydroxy(1,2,3-13C3)propanal
CID 169442815
2,6-dimethyloct-3-ene-2,5-diol
CID 154228438
(2R,3R,4R,5R)-2,3,4,5-tetrahydroxyhexanal
CID 6453351

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-hydroxy-3-methylpentanal?
The IUPAC name of (2R,3R)-2-hydroxy-3-methylpentanal (CID 89028923) is (2R,3R)-2-hydroxy-3-methylpentanal.
What is the SMILES notation for (2R,3R)-2-hydroxy-3-methylpentanal?
The canonical SMILES for (2R,3R)-2-hydroxy-3-methylpentanal is CC[C@@H](C)[C@@H](O)C=O.
What is the InChIKey of (2R,3R)-2-hydroxy-3-methylpentanal?
The InChIKey is IBQPEMCNMXJFSB-RITPCOANSA-N. The full InChI is InChI=1S/C6H12O2/c1-3-5(2)6(8)4-7/h4-6,8H,3H2,1-2H3/t5-,6+/m1/s1.
What are the key properties of (2R,3R)-2-hydroxy-3-methylpentanal?
(2R,3R)-2-hydroxy-3-methylpentanal has a molecular weight of 116.16 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-hydroxy-3-methylpentanal is sourced from PubChem (CID 89028923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).