3,4-dihydroxycyclohex-2-en-1-one

C6H8O3 — CID 10942433

IUPAC3,4-dihydroxycyclohex-2-en-1-one
SMILESO=C1C=C(O)C(O)CC1
InChIInChI=1S/C6H8O3/c7-4-1-2-5(8)6(9)3-4/h3,5,8-9H,1-2H2
InChIKeyMLFCBHMTPDUJMU-UHFFFAOYSA-N
MW128.13 g/mol
LogP0.15
Rot. Bonds

About 3,4-dihydroxycyclohex-2-en-1-one

3,4-dihydroxycyclohex-2-en-1-one (PubChem CID 10942433) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is 3,4-dihydroxycyclohex-2-en-1-one.

Molecular Properties

Compound Name3,4-dihydroxycyclohex-2-en-1-one
PubChem CID10942433
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name3,4-dihydroxycyclohex-2-en-1-one
SMILESO=C1C=C(O)C(O)CC1
InChIInChI=1S/C6H8O3/c7-4-1-2-5(8)6(9)3-4/h3,5,8-9H,1-2H2
InChIKeyMLFCBHMTPDUJMU-UHFFFAOYSA-N
XLogP0.15
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Hydroxy-2-cyclohexenone
CID 558502
(4S)-4-hydroxycyclohex-2-en-1-one
CID 10996987
(R)-4-Hydroxycyclohex-2-enone
CID 11116017
4,5-Dihydroxycyclohex-2-ene-1-one
CID 22245248
(4S,5R)-4,5-dihydroxycyclohex-2-en-1-one
CID 21350939
4(S),5(S)-dihydroxy-2-cyclohexen-1-one
CID 23599741
1-[(5R)-3,4,5-trihydroxycyclohexa-1,3-dien-1-yl]ethanone
CID 89704191
2,3,4-Trihydroxycyclohex-2-en-1-one
CID 141282739
5,6-Dihydroxycyclohex-4-ene-1,3-dione
CID 151781188
1-(4,5-Dihydroxy-3-methylcyclohexa-1,3-dien-1-yl)ethanone
CID 164142613
4-Hydroxycyclohex-2-en-1-one;hydrate
CID 173268834
4-Hydroxy-3-methoxycyclohex-2-en-1-one
CID 10855560

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxycyclohex-2-en-1-one?
The IUPAC name of 3,4-dihydroxycyclohex-2-en-1-one (CID 10942433) is 3,4-dihydroxycyclohex-2-en-1-one.
What is the SMILES notation for 3,4-dihydroxycyclohex-2-en-1-one?
The canonical SMILES for 3,4-dihydroxycyclohex-2-en-1-one is O=C1C=C(O)C(O)CC1.
What is the InChIKey of 3,4-dihydroxycyclohex-2-en-1-one?
The InChIKey is MLFCBHMTPDUJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3/c7-4-1-2-5(8)6(9)3-4/h3,5,8-9H,1-2H2.
What are the key properties of 3,4-dihydroxycyclohex-2-en-1-one?
3,4-dihydroxycyclohex-2-en-1-one has a molecular weight of 128.13 g/mol, XLogP of 0.15, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxycyclohex-2-en-1-one is sourced from PubChem (CID 10942433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).