(5R)-3,5-dihydroxy-2-methoxy-5-methylcyclohex-2-ene-1,4-dione

C8H10O5 — CID 170988459

IUPAC(5R)-3,5-dihydroxy-2-methoxy-5-methylcyclohex-2-ene-1,4-dione
SMILESCOC1=C(O)C(=O)[C@](C)(O)CC1=O
InChIInChI=1S/C8H10O5/c1-8(12)3-4(9)6(13-2)5(10)7(8)11/h10,12H,3H2,1-2H3/t8-/m1/s1
InChIKeyAEDFGBJRCJHREO-MRVPVSSYSA-N
MW186.16 g/mol
LogP-0.30
Rot. Bonds1

About (5R)-3,5-dihydroxy-2-methoxy-5-methylcyclohex-2-ene-1,4-dione

(5R)-3,5-dihydroxy-2-methoxy-5-methylcyclohex-2-ene-1,4-dione (PubChem CID 170988459) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is (5R)-3,5-dihydroxy-2-methoxy-5-methylcyclohex-2-ene-1,4-dione.

Molecular Properties

Compound Name(5R)-3,5-dihydroxy-2-methoxy-5-methylcyclohex-2-ene-1,4-dione
PubChem CID170988459
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name(5R)-3,5-dihydroxy-2-methoxy-5-methylcyclohex-2-ene-1,4-dione
SMILESCOC1=C(O)C(=O)[C@](C)(O)CC1=O
InChIInChI=1S/C8H10O5/c1-8(12)3-4(9)6(13-2)5(10)7(8)11/h10,12H,3H2,1-2H3/t8-/m1/s1
InChIKeyAEDFGBJRCJHREO-MRVPVSSYSA-N
XLogP-0.30
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-3,5-dihydroxy-2-methoxy-5-methylcyclohex-2-ene-1,4-dione?
The IUPAC name of (5R)-3,5-dihydroxy-2-methoxy-5-methylcyclohex-2-ene-1,4-dione (CID 170988459) is (5R)-3,5-dihydroxy-2-methoxy-5-methylcyclohex-2-ene-1,4-dione.
What is the SMILES notation for (5R)-3,5-dihydroxy-2-methoxy-5-methylcyclohex-2-ene-1,4-dione?
The canonical SMILES for (5R)-3,5-dihydroxy-2-methoxy-5-methylcyclohex-2-ene-1,4-dione is COC1=C(O)C(=O)[C@](C)(O)CC1=O.
What is the InChIKey of (5R)-3,5-dihydroxy-2-methoxy-5-methylcyclohex-2-ene-1,4-dione?
The InChIKey is AEDFGBJRCJHREO-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H10O5/c1-8(12)3-4(9)6(13-2)5(10)7(8)11/h10,12H,3H2,1-2H3/t8-/m1/s1.
What are the key properties of (5R)-3,5-dihydroxy-2-methoxy-5-methylcyclohex-2-ene-1,4-dione?
(5R)-3,5-dihydroxy-2-methoxy-5-methylcyclohex-2-ene-1,4-dione has a molecular weight of 186.16 g/mol, XLogP of -0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3,5-dihydroxy-2-methoxy-5-methylcyclohex-2-ene-1,4-dione is sourced from PubChem (CID 170988459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).