5-hydroxy-2-oxohexanal

C6H10O3 — CID 54288089

IUPAC5-hydroxy-2-oxohexanal
SMILESCC(O)CCC(=O)C=O
InChIInChI=1S/C6H10O3/c1-5(8)2-3-6(9)4-7/h4-5,8H,2-3H2,1H3
InChIKeyRVOVPSYFTJDKHE-UHFFFAOYSA-N
MW130.14 g/mol
LogP-0.08
Rot. Bonds4

About 5-hydroxy-2-oxohexanal

5-hydroxy-2-oxohexanal (PubChem CID 54288089) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 5-hydroxy-2-oxohexanal.

Molecular Properties

Compound Name5-hydroxy-2-oxohexanal
PubChem CID54288089
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name5-hydroxy-2-oxohexanal
SMILESCC(O)CCC(=O)C=O
InChIInChI=1S/C6H10O3/c1-5(8)2-3-6(9)4-7/h4-5,8H,2-3H2,1H3
InChIKeyRVOVPSYFTJDKHE-UHFFFAOYSA-N
XLogP-0.08
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Hydroxyhexanal
CID 131022
2-Hydroxyadipaldehyde
CID 8845
5-Hydroxy-2-hexanone
CID 114801
5-Hydroxy caproaldehyde
CID 5283313
(4S,5R)-4,5-Dihydroxyhexanal
CID 193083
L-rhodinose
CID 5460960
(5R)-5-hydroxyhexan-2-one
CID 16218550
6-Hydroxyheptan-2-one
CID 23369213
5-Hydroxyheptan-2-one
CID 54086231
(S)-5-Hydroxyhexan-2-one
CID 11491928
Hexanal, 5-hydroxy-, (R)-
CID 13272706
3,5-Dihydroxy-hexanal
CID 22278468

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-oxohexanal?
The IUPAC name of 5-hydroxy-2-oxohexanal (CID 54288089) is 5-hydroxy-2-oxohexanal.
What is the SMILES notation for 5-hydroxy-2-oxohexanal?
The canonical SMILES for 5-hydroxy-2-oxohexanal is CC(O)CCC(=O)C=O.
What is the InChIKey of 5-hydroxy-2-oxohexanal?
The InChIKey is RVOVPSYFTJDKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-5(8)2-3-6(9)4-7/h4-5,8H,2-3H2,1H3.
What are the key properties of 5-hydroxy-2-oxohexanal?
5-hydroxy-2-oxohexanal has a molecular weight of 130.14 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-oxohexanal is sourced from PubChem (CID 54288089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).