(Z,5R)-5-hydroxy-2-oxohex-3-enal

C6H8O3 — CID 87152579

IUPAC(Z,5R)-5-hydroxy-2-oxohex-3-enal
SMILESC[C@@H](O)/C=C\C(=O)C=O
InChIInChI=1S/C6H8O3/c1-5(8)2-3-6(9)4-7/h2-5,8H,1H3/b3-2-/t5-/m1/s1
InChIKeyHFQAMEQFGOSXDO-RLUJCOFPSA-N
MW128.13 g/mol
LogP-0.31
Rot. Bonds3

About (Z,5R)-5-hydroxy-2-oxohex-3-enal

(Z,5R)-5-hydroxy-2-oxohex-3-enal (PubChem CID 87152579) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is (Z,5R)-5-hydroxy-2-oxohex-3-enal.

Molecular Properties

Compound Name(Z,5R)-5-hydroxy-2-oxohex-3-enal
PubChem CID87152579
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name(Z,5R)-5-hydroxy-2-oxohex-3-enal
SMILESC[C@@H](O)/C=C\C(=O)C=O
InChIInChI=1S/C6H8O3/c1-5(8)2-3-6(9)4-7/h2-5,8H,1H3/b3-2-/t5-/m1/s1
InChIKeyHFQAMEQFGOSXDO-RLUJCOFPSA-N
XLogP-0.31
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.31
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-Hydroxyhexenal
CID 5283314
Hydroxypentenal
CID 6439969
4-Hydroxy-2-hexenal
CID 28536
(2E)-4-Hydroxy-2-heptenal
CID 6433694
(2E,4E,6E,8S)-8-hydroxydeca-2,4,6-trienal
CID 23427920
(2E,4S)-4,5-dihydroxypent-2-enal
CID 131247601
4-Hydroxycyclohexa-2,5-dien-1-one
CID 20320
4-Hydroxy-2-pentenal
CID 103032
4-Hydroxynona-2,6-dienal
CID 6438523
4-Hydroxy-2-heptenal
CID 28537
(E)-5-hydroxyhex-3-en-2-one
CID 10898686
(R,E)-4-Hydroxyhex-2-enal
CID 11018834

Frequently Asked Questions

What is the IUPAC name of (Z,5R)-5-hydroxy-2-oxohex-3-enal?
The IUPAC name of (Z,5R)-5-hydroxy-2-oxohex-3-enal (CID 87152579) is (Z,5R)-5-hydroxy-2-oxohex-3-enal.
What is the SMILES notation for (Z,5R)-5-hydroxy-2-oxohex-3-enal?
The canonical SMILES for (Z,5R)-5-hydroxy-2-oxohex-3-enal is C[C@@H](O)/C=C\C(=O)C=O.
What is the InChIKey of (Z,5R)-5-hydroxy-2-oxohex-3-enal?
The InChIKey is HFQAMEQFGOSXDO-RLUJCOFPSA-N. The full InChI is InChI=1S/C6H8O3/c1-5(8)2-3-6(9)4-7/h2-5,8H,1H3/b3-2-/t5-/m1/s1.
What are the key properties of (Z,5R)-5-hydroxy-2-oxohex-3-enal?
(Z,5R)-5-hydroxy-2-oxohex-3-enal has a molecular weight of 128.13 g/mol, XLogP of -0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5R)-5-hydroxy-2-oxohex-3-enal is sourced from PubChem (CID 87152579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).