(2S)-4-ethyl-2-hydroxyhexanal

C8H16O2 — CID 102054910

IUPAC(2S)-4-ethyl-2-hydroxyhexanal
SMILESCCC(CC)C[C@H](O)C=O
InChIInChI=1S/C8H16O2/c1-3-7(4-2)5-8(10)6-9/h6-8,10H,3-5H2,1-2H3/t8-/m0/s1
InChIKeyXPOFVTNEVVPUTI-QMMMGPOBSA-N
MW144.21 g/mol
LogP1.37
Rot. Bonds5

About (2S)-4-ethyl-2-hydroxyhexanal

(2S)-4-ethyl-2-hydroxyhexanal (PubChem CID 102054910) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (2S)-4-ethyl-2-hydroxyhexanal.

Molecular Properties

Compound Name(2S)-4-ethyl-2-hydroxyhexanal
PubChem CID102054910
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(2S)-4-ethyl-2-hydroxyhexanal
SMILESCCC(CC)C[C@H](O)C=O
InChIInChI=1S/C8H16O2/c1-3-7(4-2)5-8(10)6-9/h6-8,10H,3-5H2,1-2H3/t8-/m0/s1
InChIKeyXPOFVTNEVVPUTI-QMMMGPOBSA-N
XLogP1.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-4-ethyl-2-hydroxyhexanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Ethyl-3-hydroxyhexanal
CID 10324
(2S,3S)-3-hydroxy-2,5-dimethylhexanal
CID 11423661
3,4-Dimethyl-6-hydroxyhexanal
CID 18368808
2-Ethyl-3-hydroxyhexanal, (2R,3S)-rel-
CID 72941672
5-Hydroxy-3,6-dimethylheptanal
CID 91437635
(3r,6r)-6-Hydroxy-3,7-dimethyloctanal
CID 93477566
(2R,3R)-3-hydroxy-2,5-dimethylhexanal
CID 101748779
(2S,3R)-3-hydroxy-2,5-dimethylhexanal
CID 134930459
2-Ethyl-3-hydroxyhexanal, (2R,3R)-rel-
CID 72941699
Hexanal, 3-(hydroxymethyl)-4-methyl-
CID 550671
2-Ethyl-3-hydroxy-4-methylpentanal
CID 237855
3,7-Dimethyl-6-hydroxyoctan-1-al
CID 10241262

Frequently Asked Questions

What is the IUPAC name of (2S)-4-ethyl-2-hydroxyhexanal?
The IUPAC name of (2S)-4-ethyl-2-hydroxyhexanal (CID 102054910) is (2S)-4-ethyl-2-hydroxyhexanal.
What is the SMILES notation for (2S)-4-ethyl-2-hydroxyhexanal?
The canonical SMILES for (2S)-4-ethyl-2-hydroxyhexanal is CCC(CC)C[C@H](O)C=O.
What is the InChIKey of (2S)-4-ethyl-2-hydroxyhexanal?
The InChIKey is XPOFVTNEVVPUTI-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-7(4-2)5-8(10)6-9/h6-8,10H,3-5H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-4-ethyl-2-hydroxyhexanal?
(2S)-4-ethyl-2-hydroxyhexanal has a molecular weight of 144.21 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-ethyl-2-hydroxyhexanal is sourced from PubChem (CID 102054910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).