(4R,5R)-4,5-dihydroxy-2-methylcyclohex-2-en-1-one

C7H10O3 — CID 118714759

IUPAC(4R,5R)-4,5-dihydroxy-2-methylcyclohex-2-en-1-one
SMILESCC1=C[C@@H](O)[C@H](O)CC1=O
InChIInChI=1S/C7H10O3/c1-4-2-6(9)7(10)3-5(4)8/h2,6-7,9-10H,3H2,1H3/t6-,7-/m1/s1
InChIKeyLOFGUEYYNOZLJL-RNFRBKRXSA-N
MW142.15 g/mol
LogP-0.37
Rot. Bonds

About (4R,5R)-4,5-dihydroxy-2-methylcyclohex-2-en-1-one

(4R,5R)-4,5-dihydroxy-2-methylcyclohex-2-en-1-one (PubChem CID 118714759) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (4R,5R)-4,5-dihydroxy-2-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(4R,5R)-4,5-dihydroxy-2-methylcyclohex-2-en-1-one
PubChem CID118714759
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(4R,5R)-4,5-dihydroxy-2-methylcyclohex-2-en-1-one
SMILESCC1=C[C@@H](O)[C@H](O)CC1=O
InChIInChI=1S/C7H10O3/c1-4-2-6(9)7(10)3-5(4)8/h2,6-7,9-10H,3H2,1H3/t6-,7-/m1/s1
InChIKeyLOFGUEYYNOZLJL-RNFRBKRXSA-N
XLogP-0.37
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Epoformin
CID 171120
7-Oxabicyclo(4.1.0)hept-3-en-2-one, 5-hydroxy-3-methyl-, (1R,5S,6R)-
CID 155055
(1S,5S,6S)-5-hydroxy-3-methyl-7-oxabicyclo[4.1.0]hept-3-en-2-one
CID 10057579
2-(Hydroxymethyl)cyclohex-2-en-1-one
CID 11029845
Gabosine A
CID 10351943
4,5,6-Trihydroxy-2-methylcyclohex-2-en-1-one
CID 22298139
5-Hydroxy-p-mentha-6,8-dien-2-one
CID 14379178
Gabosine N
CID 639378
(4S,6E)-4-hydroxy-3-methyl-6-(6-methylhept-5-en-2-ylidene)cyclohex-2-en-1-one
CID 10059937
(4S,5R)-4-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
CID 14379179
(4R,5S)-4,5-dihydroxy-3-methylcyclopent-2-en-1-one
CID 15098266
4,5,6-Trihydroxy-3-methylcyclohex-2-en-1-one
CID 76029264

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4,5-dihydroxy-2-methylcyclohex-2-en-1-one?
The IUPAC name of (4R,5R)-4,5-dihydroxy-2-methylcyclohex-2-en-1-one (CID 118714759) is (4R,5R)-4,5-dihydroxy-2-methylcyclohex-2-en-1-one.
What is the SMILES notation for (4R,5R)-4,5-dihydroxy-2-methylcyclohex-2-en-1-one?
The canonical SMILES for (4R,5R)-4,5-dihydroxy-2-methylcyclohex-2-en-1-one is CC1=C[C@@H](O)[C@H](O)CC1=O.
What is the InChIKey of (4R,5R)-4,5-dihydroxy-2-methylcyclohex-2-en-1-one?
The InChIKey is LOFGUEYYNOZLJL-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H10O3/c1-4-2-6(9)7(10)3-5(4)8/h2,6-7,9-10H,3H2,1H3/t6-,7-/m1/s1.
What are the key properties of (4R,5R)-4,5-dihydroxy-2-methylcyclohex-2-en-1-one?
(4R,5R)-4,5-dihydroxy-2-methylcyclohex-2-en-1-one has a molecular weight of 142.15 g/mol, XLogP of -0.37, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4,5-dihydroxy-2-methylcyclohex-2-en-1-one is sourced from PubChem (CID 118714759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).