(5R,6S)-5,6-dihydroxy-2,6-dimethylcyclohex-2-ene-1,4-dione

C8H10O4 — CID 131004983

IUPAC(5R,6S)-5,6-dihydroxy-2,6-dimethylcyclohex-2-ene-1,4-dione
SMILESCC1=CC(=O)[C@H](O)[C@](C)(O)C1=O
InChIInChI=1S/C8H10O4/c1-4-3-5(9)7(11)8(2,12)6(4)10/h3,7,11-12H,1-2H3/t7-,8+/m0/s1
InChIKeyDNSXSYZLXRHYTM-JGVFFNPUSA-N
MW170.16 g/mol
LogP-0.80
Rot. Bonds

About (5R,6S)-5,6-dihydroxy-2,6-dimethylcyclohex-2-ene-1,4-dione

(5R,6S)-5,6-dihydroxy-2,6-dimethylcyclohex-2-ene-1,4-dione (PubChem CID 131004983) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is (5R,6S)-5,6-dihydroxy-2,6-dimethylcyclohex-2-ene-1,4-dione.

Molecular Properties

Compound Name(5R,6S)-5,6-dihydroxy-2,6-dimethylcyclohex-2-ene-1,4-dione
PubChem CID131004983
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name(5R,6S)-5,6-dihydroxy-2,6-dimethylcyclohex-2-ene-1,4-dione
SMILESCC1=CC(=O)[C@H](O)[C@](C)(O)C1=O
InChIInChI=1S/C8H10O4/c1-4-3-5(9)7(11)8(2,12)6(4)10/h3,7,11-12H,1-2H3/t7-,8+/m0/s1
InChIKeyDNSXSYZLXRHYTM-JGVFFNPUSA-N
XLogP-0.80
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5,6-dihydroxy-2,6-dimethylcyclohex-2-ene-1,4-dione?
The IUPAC name of (5R,6S)-5,6-dihydroxy-2,6-dimethylcyclohex-2-ene-1,4-dione (CID 131004983) is (5R,6S)-5,6-dihydroxy-2,6-dimethylcyclohex-2-ene-1,4-dione.
What is the SMILES notation for (5R,6S)-5,6-dihydroxy-2,6-dimethylcyclohex-2-ene-1,4-dione?
The canonical SMILES for (5R,6S)-5,6-dihydroxy-2,6-dimethylcyclohex-2-ene-1,4-dione is CC1=CC(=O)[C@H](O)[C@](C)(O)C1=O.
What is the InChIKey of (5R,6S)-5,6-dihydroxy-2,6-dimethylcyclohex-2-ene-1,4-dione?
The InChIKey is DNSXSYZLXRHYTM-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H10O4/c1-4-3-5(9)7(11)8(2,12)6(4)10/h3,7,11-12H,1-2H3/t7-,8+/m0/s1.
What are the key properties of (5R,6S)-5,6-dihydroxy-2,6-dimethylcyclohex-2-ene-1,4-dione?
(5R,6S)-5,6-dihydroxy-2,6-dimethylcyclohex-2-ene-1,4-dione has a molecular weight of 170.16 g/mol, XLogP of -0.80, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5,6-dihydroxy-2,6-dimethylcyclohex-2-ene-1,4-dione is sourced from PubChem (CID 131004983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).