2-hydroxycyclohex-3-en-1-one

C6H8O2 — CID 10171238

IUPAC2-hydroxycyclohex-3-en-1-one
SMILESO=C1CCC=CC1O
InChIInChI=1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1,3,5,7H,2,4H2
InChIKeyQBOJOGZWRZVMNV-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.27
Rot. Bonds

About 2-hydroxycyclohex-3-en-1-one

2-hydroxycyclohex-3-en-1-one (PubChem CID 10171238) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is 2-hydroxycyclohex-3-en-1-one.

Molecular Properties

Compound Name2-hydroxycyclohex-3-en-1-one
PubChem CID10171238
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name2-hydroxycyclohex-3-en-1-one
SMILESO=C1CCC=CC1O
InChIInChI=1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1,3,5,7H,2,4H2
InChIKeyQBOJOGZWRZVMNV-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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Related Compounds

4-Hydroxy-2-cyclohexenone
CID 558502
(4S)-4-hydroxycyclohex-2-en-1-one
CID 10996987
2-Hydroxycyclopent-3-en-1-one
CID 10844341
(R)-4-Hydroxycyclohex-2-enone
CID 11116017
3-hydroxy-(E)-4-decen-2-one
CID 17861466
3-hydroxy-(E)-4-hexen-2-one
CID 17861473
2-Hydroxycyclohept-4-en-1-one
CID 12921396
3-Hydroxy-4hexen-2-one
CID 73412155
3-hydroxy-(E)-4-hepten-2-one
CID 45085290
2-Hydroxy-3-methylcyclopent-3-en-1-one
CID 11400741
2,5-Dihydroxy-3-methylcyclopent-3-en-1-one
CID 15559986
(E)-5,8-dihydroxydodec-6-ene-4,9-dione
CID 18002495

Frequently Asked Questions

What is the IUPAC name of 2-hydroxycyclohex-3-en-1-one?
The IUPAC name of 2-hydroxycyclohex-3-en-1-one (CID 10171238) is 2-hydroxycyclohex-3-en-1-one.
What is the SMILES notation for 2-hydroxycyclohex-3-en-1-one?
The canonical SMILES for 2-hydroxycyclohex-3-en-1-one is O=C1CCC=CC1O.
What is the InChIKey of 2-hydroxycyclohex-3-en-1-one?
The InChIKey is QBOJOGZWRZVMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1,3,5,7H,2,4H2.
What are the key properties of 2-hydroxycyclohex-3-en-1-one?
2-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 2-hydroxycyclohex-3-en-1-one is sourced from PubChem (CID 10171238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).