(2S)-2-hydroxyhexanal

C6H12O2 — CID 89043332

IUPAC(2S)-2-hydroxyhexanal
SMILESCCCC[C@H](O)C=O
InChIInChI=1S/C6H12O2/c1-2-3-4-6(8)5-7/h5-6,8H,2-4H2,1H3/t6-/m0/s1
InChIKeyBRZMRZVKWQWYPJ-LURJTMIESA-N
MW116.16 g/mol
LogP0.74
Rot. Bonds4

About (2S)-2-hydroxyhexanal

(2S)-2-hydroxyhexanal (PubChem CID 89043332) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is (2S)-2-hydroxyhexanal.

Molecular Properties

Compound Name(2S)-2-hydroxyhexanal
PubChem CID89043332
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name(2S)-2-hydroxyhexanal
SMILESCCCC[C@H](O)C=O
InChIInChI=1S/C6H12O2/c1-2-3-4-6(8)5-7/h5-6,8H,2-4H2,1H3/t6-/m0/s1
InChIKeyBRZMRZVKWQWYPJ-LURJTMIESA-N
XLogP0.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.74
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)-2-hydroxyhexanal?
The IUPAC name of (2S)-2-hydroxyhexanal (CID 89043332) is (2S)-2-hydroxyhexanal.
What is the SMILES notation for (2S)-2-hydroxyhexanal?
The canonical SMILES for (2S)-2-hydroxyhexanal is CCCC[C@H](O)C=O.
What is the InChIKey of (2S)-2-hydroxyhexanal?
The InChIKey is BRZMRZVKWQWYPJ-LURJTMIESA-N. The full InChI is InChI=1S/C6H12O2/c1-2-3-4-6(8)5-7/h5-6,8H,2-4H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-2-hydroxyhexanal?
(2S)-2-hydroxyhexanal has a molecular weight of 116.16 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxyhexanal is sourced from PubChem (CID 89043332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).