3-hydroxyhex-4-en-2-one

C6H10O2 — CID 73412155

IUPAC3-hydroxyhex-4-en-2-one
SMILESCC=CC(O)C(C)=O
InChIInChI=1S/C6H10O2/c1-3-4-6(8)5(2)7/h3-4,6,8H,1-2H3
InChIKeySNHRCGORDKLMQV-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.51
Rot. Bonds2

About 3-hydroxyhex-4-en-2-one

3-hydroxyhex-4-en-2-one (PubChem CID 73412155) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 3-hydroxyhex-4-en-2-one.

Molecular Properties

Compound Name3-hydroxyhex-4-en-2-one
PubChem CID73412155
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name3-hydroxyhex-4-en-2-one
SMILESCC=CC(O)C(C)=O
InChIInChI=1S/C6H10O2/c1-3-4-6(8)5(2)7/h3-4,6,8H,1-2H3
InChIKeySNHRCGORDKLMQV-UHFFFAOYSA-N
XLogP0.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Hydroxy-pent-1-en-4-one
CID 10307851
3-hydroxy-(E)-4-octen-2-one
CID 17861470
2-Hydroxy-3-cyclohexenone
CID 10171238
2-Hydroxycyclopent-3-en-1-one
CID 10844341
(e)-2-Hexen-1,4-diol
CID 12778444
Aethylidenmethylketol
CID 13947333
(3r,4e)-3-Hydroxyoct-4-en-2-one
CID 98076032
3-hydroxy-(E)-4-decen-2-one
CID 17861466
4-Hydroxyhex-5-en-3-one
CID 17861469
3-hydroxy-(E)-4-hexen-2-one
CID 17861473
3-hydroxy-(E)-4-nonen-2-one
CID 17861474
3-Hydroxy-4-octen-2-one
CID 71436912

Frequently Asked Questions

What is the IUPAC name of 3-hydroxyhex-4-en-2-one?
The IUPAC name of 3-hydroxyhex-4-en-2-one (CID 73412155) is 3-hydroxyhex-4-en-2-one.
What is the SMILES notation for 3-hydroxyhex-4-en-2-one?
The canonical SMILES for 3-hydroxyhex-4-en-2-one is CC=CC(O)C(C)=O.
What is the InChIKey of 3-hydroxyhex-4-en-2-one?
The InChIKey is SNHRCGORDKLMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-3-4-6(8)5(2)7/h3-4,6,8H,1-2H3.
What are the key properties of 3-hydroxyhex-4-en-2-one?
3-hydroxyhex-4-en-2-one has a molecular weight of 114.14 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxyhex-4-en-2-one is sourced from PubChem (CID 73412155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).