5-hydroxycyclohex-3-en-1-one

C6H8O2 — CID 54115157

IUPAC5-hydroxycyclohex-3-en-1-one
SMILESO=C1CC=CC(O)C1
InChIInChI=1S/C6H8O2/c7-5-2-1-3-6(8)4-5/h1-2,5,7H,3-4H2
InChIKeyNJVBDFYOVDIGEY-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.27
Rot. Bonds

About 5-hydroxycyclohex-3-en-1-one

5-hydroxycyclohex-3-en-1-one (PubChem CID 54115157) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is 5-hydroxycyclohex-3-en-1-one.

Molecular Properties

Compound Name5-hydroxycyclohex-3-en-1-one
PubChem CID54115157
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name5-hydroxycyclohex-3-en-1-one
SMILESO=C1CC=CC(O)C1
InChIInChI=1S/C6H8O2/c7-5-2-1-3-6(8)4-5/h1-2,5,7H,3-4H2
InChIKeyNJVBDFYOVDIGEY-UHFFFAOYSA-N
XLogP0.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.27
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 5-hydroxycyclohex-3-en-1-one?
The IUPAC name of 5-hydroxycyclohex-3-en-1-one (CID 54115157) is 5-hydroxycyclohex-3-en-1-one.
What is the SMILES notation for 5-hydroxycyclohex-3-en-1-one?
The canonical SMILES for 5-hydroxycyclohex-3-en-1-one is O=C1CC=CC(O)C1.
What is the InChIKey of 5-hydroxycyclohex-3-en-1-one?
The InChIKey is NJVBDFYOVDIGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2/c7-5-2-1-3-6(8)4-5/h1-2,5,7H,3-4H2.
What are the key properties of 5-hydroxycyclohex-3-en-1-one?
5-hydroxycyclohex-3-en-1-one has a molecular weight of 112.13 g/mol, XLogP of 0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxycyclohex-3-en-1-one is sourced from PubChem (CID 54115157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).