1-hydroxyhex-5-en-2-one

C6H10O2 — CID 15059668

IUPAC1-hydroxyhex-5-en-2-one
SMILESC=CCCC(=O)CO
InChIInChI=1S/C6H10O2/c1-2-3-4-6(8)5-7/h2,7H,1,3-5H2
InChIKeyAKNUCNDSDYSMNQ-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.51
Rot. Bonds4

About 1-hydroxyhex-5-en-2-one

1-hydroxyhex-5-en-2-one (PubChem CID 15059668) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 1-hydroxyhex-5-en-2-one.

Molecular Properties

Compound Name1-hydroxyhex-5-en-2-one
PubChem CID15059668
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name1-hydroxyhex-5-en-2-one
SMILESC=CCCC(=O)CO
InChIInChI=1S/C6H10O2/c1-2-3-4-6(8)5-7/h2,7H,1,3-5H2
InChIKeyAKNUCNDSDYSMNQ-UHFFFAOYSA-N
XLogP0.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 1-hydroxyhex-5-en-2-one?
The IUPAC name of 1-hydroxyhex-5-en-2-one (CID 15059668) is 1-hydroxyhex-5-en-2-one.
What is the SMILES notation for 1-hydroxyhex-5-en-2-one?
The canonical SMILES for 1-hydroxyhex-5-en-2-one is C=CCCC(=O)CO.
What is the InChIKey of 1-hydroxyhex-5-en-2-one?
The InChIKey is AKNUCNDSDYSMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-2-3-4-6(8)5-7/h2,7H,1,3-5H2.
What are the key properties of 1-hydroxyhex-5-en-2-one?
1-hydroxyhex-5-en-2-one has a molecular weight of 114.14 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyhex-5-en-2-one is sourced from PubChem (CID 15059668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).