(E)-6-hydroxyhex-3-en-2-one

C6H10O2 — CID 15778143

IUPAC(E)-6-hydroxyhex-3-en-2-one
SMILESCC(=O)/C=C/CCO
InChIInChI=1S/C6H10O2/c1-6(8)4-2-3-5-7/h2,4,7H,3,5H2,1H3/b4-2+
InChIKeyPUJJTGASTPFKQG-DUXPYHPUSA-N
MW114.14 g/mol
LogP0.51
Rot. Bonds3

About (E)-6-hydroxyhex-3-en-2-one

(E)-6-hydroxyhex-3-en-2-one (PubChem CID 15778143) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (E)-6-hydroxyhex-3-en-2-one.

Molecular Properties

Compound Name(E)-6-hydroxyhex-3-en-2-one
PubChem CID15778143
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(E)-6-hydroxyhex-3-en-2-one
SMILESCC(=O)/C=C/CCO
InChIInChI=1S/C6H10O2/c1-6(8)4-2-3-5-7/h2,4,7H,3,5H2,1H3/b4-2+
InChIKeyPUJJTGASTPFKQG-DUXPYHPUSA-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-6-hydroxyhex-3-en-2-one?
The IUPAC name of (E)-6-hydroxyhex-3-en-2-one (CID 15778143) is (E)-6-hydroxyhex-3-en-2-one.
What is the SMILES notation for (E)-6-hydroxyhex-3-en-2-one?
The canonical SMILES for (E)-6-hydroxyhex-3-en-2-one is CC(=O)/C=C/CCO.
What is the InChIKey of (E)-6-hydroxyhex-3-en-2-one?
The InChIKey is PUJJTGASTPFKQG-DUXPYHPUSA-N. The full InChI is InChI=1S/C6H10O2/c1-6(8)4-2-3-5-7/h2,4,7H,3,5H2,1H3/b4-2+.
What are the key properties of (E)-6-hydroxyhex-3-en-2-one?
(E)-6-hydroxyhex-3-en-2-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 (E)-6-hydroxyhex-3-en-2-one is sourced from PubChem (CID 15778143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).