(Z)-6-hydroxyhex-5-en-3-one

C6H10O2 — CID 91807089

IUPAC(Z)-6-hydroxyhex-5-en-3-one
SMILESCCC(=O)C/C=C\O
InChIInChI=1S/C6H10O2/c1-2-6(8)4-3-5-7/h3,5,7H,2,4H2,1H3/b5-3-
InChIKeyXZBMBGADJOGEEO-HYXAFXHYSA-N
MW114.14 g/mol
LogP1.43
Rot. Bonds3

About (Z)-6-hydroxyhex-5-en-3-one

(Z)-6-hydroxyhex-5-en-3-one (PubChem CID 91807089) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (Z)-6-hydroxyhex-5-en-3-one.

Molecular Properties

Compound Name(Z)-6-hydroxyhex-5-en-3-one
PubChem CID91807089
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(Z)-6-hydroxyhex-5-en-3-one
SMILESCCC(=O)C/C=C\O
InChIInChI=1S/C6H10O2/c1-2-6(8)4-3-5-7/h3,5,7H,2,4H2,1H3/b5-3-
InChIKeyXZBMBGADJOGEEO-HYXAFXHYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-6-hydroxyhex-5-en-3-one?
The IUPAC name of (Z)-6-hydroxyhex-5-en-3-one (CID 91807089) is (Z)-6-hydroxyhex-5-en-3-one.
What is the SMILES notation for (Z)-6-hydroxyhex-5-en-3-one?
The canonical SMILES for (Z)-6-hydroxyhex-5-en-3-one is CCC(=O)C/C=C\O.
What is the InChIKey of (Z)-6-hydroxyhex-5-en-3-one?
The InChIKey is XZBMBGADJOGEEO-HYXAFXHYSA-N. The full InChI is InChI=1S/C6H10O2/c1-2-6(8)4-3-5-7/h3,5,7H,2,4H2,1H3/b5-3-.
What are the key properties of (Z)-6-hydroxyhex-5-en-3-one?
(Z)-6-hydroxyhex-5-en-3-one has a molecular weight of 114.14 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-hydroxyhex-5-en-3-one is sourced from PubChem (CID 91807089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).