(6R)-6-(dihydroxymethyl)-6-hydroxycyclohex-2-en-1-one

C7H10O4 — CID 59123702

IUPAC(6R)-6-(dihydroxymethyl)-6-hydroxycyclohex-2-en-1-one
SMILESO=C1C=CCC[C@@]1(O)C(O)O
InChIInChI=1S/C7H10O4/c8-5-3-1-2-4-7(5,11)6(9)10/h1,3,6,9-11H,2,4H2/t7-/m0/s1
InChIKeyYVLRBAXGSUWFQG-ZETCQYMHSA-N
MW158.15 g/mol
LogP-1.05
Rot. Bonds1

About (6R)-6-(dihydroxymethyl)-6-hydroxycyclohex-2-en-1-one

(6R)-6-(dihydroxymethyl)-6-hydroxycyclohex-2-en-1-one (PubChem CID 59123702) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is (6R)-6-(dihydroxymethyl)-6-hydroxycyclohex-2-en-1-one.

Molecular Properties

Compound Name(6R)-6-(dihydroxymethyl)-6-hydroxycyclohex-2-en-1-one
PubChem CID59123702
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name(6R)-6-(dihydroxymethyl)-6-hydroxycyclohex-2-en-1-one
SMILESO=C1C=CCC[C@@]1(O)C(O)O
InChIInChI=1S/C7H10O4/c8-5-3-1-2-4-7(5,11)6(9)10/h1,3,6,9-11H,2,4H2/t7-/m0/s1
InChIKeyYVLRBAXGSUWFQG-ZETCQYMHSA-N
XLogP-1.05
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(4S,5S,6R)-4,5,6-Trihydroxy-6-methylcyclohex-2-en-1-one
CID 45083268
(4S,5S,6S)-4,5,6-trihydroxy-6-methylcyclohex-2-en-1-one
CID 135010305
(6S)-6-hydroxy-6-(hydroxymethyl)cyclohex-2-en-1-one
CID 59123704
(6R)-6-hydroxy-6-(hydroxymethyl)cyclohex-2-en-1-one
CID 59123706
(6S)-6-(dihydroxymethyl)-6-hydroxycyclohex-2-en-1-one
CID 59123707
2-Hydroxy-1-oxaspiro[2.5]oct-5-en-4-one
CID 140972985
(1R)-1-hydroxy-5-oxocyclohex-3-ene-1-carboxylic acid
CID 10844626
4,5,6-Trihydroxy-6-methylcyclohex-2-en-1-one
CID 71438048
(4S,5R,6S)-4,5,6-trihydroxy-6-prop-2-enylcyclohex-2-en-1-one
CID 71482334
(4S,5S,6S)-4,5,6-trihydroxy-6-prop-2-enylcyclohex-2-en-1-one
CID 71482459
4,5,6-Trihydroxy-6-prop-2-enylcyclohex-2-en-1-one
CID 77987742
1-Hydroxy-5-oxocyclohex-3-ene-1-carboxylic acid
CID 85287629

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(dihydroxymethyl)-6-hydroxycyclohex-2-en-1-one?
The IUPAC name of (6R)-6-(dihydroxymethyl)-6-hydroxycyclohex-2-en-1-one (CID 59123702) is (6R)-6-(dihydroxymethyl)-6-hydroxycyclohex-2-en-1-one.
What is the SMILES notation for (6R)-6-(dihydroxymethyl)-6-hydroxycyclohex-2-en-1-one?
The canonical SMILES for (6R)-6-(dihydroxymethyl)-6-hydroxycyclohex-2-en-1-one is O=C1C=CCC[C@@]1(O)C(O)O.
What is the InChIKey of (6R)-6-(dihydroxymethyl)-6-hydroxycyclohex-2-en-1-one?
The InChIKey is YVLRBAXGSUWFQG-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H10O4/c8-5-3-1-2-4-7(5,11)6(9)10/h1,3,6,9-11H,2,4H2/t7-/m0/s1.
What are the key properties of (6R)-6-(dihydroxymethyl)-6-hydroxycyclohex-2-en-1-one?
(6R)-6-(dihydroxymethyl)-6-hydroxycyclohex-2-en-1-one has a molecular weight of 158.15 g/mol, XLogP of -1.05, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(dihydroxymethyl)-6-hydroxycyclohex-2-en-1-one is sourced from PubChem (CID 59123702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).