5-hydroxyhex-2-enal

C6H10O2 — CID 54149360

IUPAC5-hydroxyhex-2-enal
SMILESCC(O)CC=CC=O
InChIInChI=1S/C6H10O2/c1-6(8)4-2-3-5-7/h2-3,5-6,8H,4H2,1H3
InChIKeyOGQYNMDKSPMZAF-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.51
Rot. Bonds3

About 5-hydroxyhex-2-enal

5-hydroxyhex-2-enal (PubChem CID 54149360) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 5-hydroxyhex-2-enal.

Molecular Properties

Compound Name5-hydroxyhex-2-enal
PubChem CID54149360
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name5-hydroxyhex-2-enal
SMILESCC(O)CC=CC=O
InChIInChI=1S/C6H10O2/c1-6(8)4-2-3-5-7/h2-3,5-6,8H,4H2,1H3
InChIKeyOGQYNMDKSPMZAF-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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Frequently Asked Questions

What is the IUPAC name of 5-hydroxyhex-2-enal?
The IUPAC name of 5-hydroxyhex-2-enal (CID 54149360) is 5-hydroxyhex-2-enal.
What is the SMILES notation for 5-hydroxyhex-2-enal?
The canonical SMILES for 5-hydroxyhex-2-enal is CC(O)CC=CC=O.
What is the InChIKey of 5-hydroxyhex-2-enal?
The InChIKey is OGQYNMDKSPMZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-6(8)4-2-3-5-7/h2-3,5-6,8H,4H2,1H3.
What are the key properties of 5-hydroxyhex-2-enal?
5-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 5-hydroxyhex-2-enal is sourced from PubChem (CID 54149360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).