(2S,3R)-2-ethyl-3-hydroxyhexanal

C8H16O2 — CID 72941672

IUPAC(2S,3R)-2-ethyl-3-hydroxyhexanal
SMILESCCC[C@@H](O)[C@@H](C=O)CC
InChIInChI=1S/C8H16O2/c1-3-5-8(10)7(4-2)6-9/h6-8,10H,3-5H2,1-2H3/t7-,8-/m1/s1
InChIKeyFMBAIQMSJGQWLF-HTQZYQBOSA-N
MW144.21 g/mol
LogP1.37
Rot. Bonds5

About (2S,3R)-2-ethyl-3-hydroxyhexanal

(2S,3R)-2-ethyl-3-hydroxyhexanal (PubChem CID 72941672) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (2S,3R)-2-ethyl-3-hydroxyhexanal.

Molecular Properties

Compound Name(2S,3R)-2-ethyl-3-hydroxyhexanal
PubChem CID72941672
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(2S,3R)-2-ethyl-3-hydroxyhexanal
SMILESCCC[C@@H](O)[C@@H](C=O)CC
InChIInChI=1S/C8H16O2/c1-3-5-8(10)7(4-2)6-9/h6-8,10H,3-5H2,1-2H3/t7-,8-/m1/s1
InChIKeyFMBAIQMSJGQWLF-HTQZYQBOSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-ethyl-3-hydroxyhexanal?
The IUPAC name of (2S,3R)-2-ethyl-3-hydroxyhexanal (CID 72941672) is (2S,3R)-2-ethyl-3-hydroxyhexanal.
What is the SMILES notation for (2S,3R)-2-ethyl-3-hydroxyhexanal?
The canonical SMILES for (2S,3R)-2-ethyl-3-hydroxyhexanal is CCC[C@@H](O)[C@@H](C=O)CC.
What is the InChIKey of (2S,3R)-2-ethyl-3-hydroxyhexanal?
The InChIKey is FMBAIQMSJGQWLF-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-5-8(10)7(4-2)6-9/h6-8,10H,3-5H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of (2S,3R)-2-ethyl-3-hydroxyhexanal?
(2S,3R)-2-ethyl-3-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,3R)-2-ethyl-3-hydroxyhexanal is sourced from PubChem (CID 72941672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).