2-hydroxyhex-5-en-3-one

C6H10O2 — CID 57220467

IUPAC2-hydroxyhex-5-en-3-one
SMILESC=CCC(=O)C(C)O
InChIInChI=1S/C6H10O2/c1-3-4-6(8)5(2)7/h3,5,7H,1,4H2,2H3
InChIKeyPNWFWHKJTFOWGT-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.51
Rot. Bonds3

About 2-hydroxyhex-5-en-3-one

2-hydroxyhex-5-en-3-one (PubChem CID 57220467) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 2-hydroxyhex-5-en-3-one.

Molecular Properties

Compound Name2-hydroxyhex-5-en-3-one
PubChem CID57220467
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name2-hydroxyhex-5-en-3-one
SMILESC=CCC(=O)C(C)O
InChIInChI=1S/C6H10O2/c1-3-4-6(8)5(2)7/h3,5,7H,1,4H2,2H3
InChIKeyPNWFWHKJTFOWGT-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Hydroxy-pent-1-en-4-one
CID 10307851
4-Hydroxy-1-penten-3-one
CID 12006600
Hydroxymethyl 2-propenyl ketone
CID 53822679
1,1,1-Trifluoro-2-hydroxyhex-5-en-3-one
CID 88437902
(2S)-1,1,1-trifluoro-2-hydroxyhex-5-en-3-one
CID 88460355
4-Hydroxyhex-1-en-3-one
CID 17861468
4-Hydroxyhex-5-en-3-one
CID 17861469
1-Hydroxyhex-5-en-2-one
CID 15059668
(4S)-4-hydroxypent-1-en-3-one
CID 10011849
(E)-4-hydroxyhept-5-en-3-one
CID 18431368
(E)-3-hydroxyhept-5-en-2-one
CID 22559399
3-Hydroxyhex-5-en-2-one
CID 45085064

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyhex-5-en-3-one?
The IUPAC name of 2-hydroxyhex-5-en-3-one (CID 57220467) is 2-hydroxyhex-5-en-3-one.
What is the SMILES notation for 2-hydroxyhex-5-en-3-one?
The canonical SMILES for 2-hydroxyhex-5-en-3-one is C=CCC(=O)C(C)O.
What is the InChIKey of 2-hydroxyhex-5-en-3-one?
The InChIKey is PNWFWHKJTFOWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-3-4-6(8)5(2)7/h3,5,7H,1,4H2,2H3.
What are the key properties of 2-hydroxyhex-5-en-3-one?
2-hydroxyhex-5-en-3-one 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 2-hydroxyhex-5-en-3-one is sourced from PubChem (CID 57220467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).