4-hydroxyhex-2-enal

C6H10O2 — CID 28536

IUPAC4-hydroxyhex-2-enal
SMILESCCC(O)C=CC=O
InChIInChI=1S/C6H10O2/c1-2-6(8)4-3-5-7/h3-6,8H,2H2,1H3
InChIKeyJYTUBIHWMKQZRB-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.51
Rot. Bonds3

About 4-hydroxyhex-2-enal

4-hydroxyhex-2-enal (PubChem CID 28536) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 4-hydroxyhex-2-enal.

Molecular Properties

Compound Name4-hydroxyhex-2-enal
PubChem CID28536
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name4-hydroxyhex-2-enal
SMILESCCC(O)C=CC=O
InChIInChI=1S/C6H10O2/c1-2-6(8)4-3-5-7/h3-6,8H,2H2,1H3
InChIKeyJYTUBIHWMKQZRB-UHFFFAOYSA-N
XLogP0.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-Hydroxyhexenal
CID 5283314
4-Hydroxy-2-octenal
CID 28551
Hydroxypentenal
CID 6439969
4-Hydroxyoctenal
CID 5283334
(2E)-4-Hydroxy-2-heptenal
CID 6433694
(2E,4E,6E,8S)-8-hydroxydeca-2,4,6-trienal
CID 23427920
(2E,5S,6E,8E,10E)-5-hydroxydodeca-2,6,8,10-tetraenal
CID 129320371
5-Hydroxy-2-hexensaure
CID 559394
(4R)-4-hydroxyhex-2-enoic acid
CID 163062429
10-Hydroxy-(2,4,6,8)dodecatetraenal
CID 6440355
(2E,4S)-4,5-dihydroxypent-2-enal
CID 131247601
Thailandene A
CID 156582752

Frequently Asked Questions

What is the IUPAC name of 4-hydroxyhex-2-enal?
The IUPAC name of 4-hydroxyhex-2-enal (CID 28536) is 4-hydroxyhex-2-enal.
What is the SMILES notation for 4-hydroxyhex-2-enal?
The canonical SMILES for 4-hydroxyhex-2-enal is CCC(O)C=CC=O.
What is the InChIKey of 4-hydroxyhex-2-enal?
The InChIKey is JYTUBIHWMKQZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-2-6(8)4-3-5-7/h3-6,8H,2H2,1H3.
What are the key properties of 4-hydroxyhex-2-enal?
4-hydroxyhex-2-enal has a molecular weight of 114.14 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxyhex-2-enal is sourced from PubChem (CID 28536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).