(4S,5R)-4,5-dihydroxycyclohex-2-en-1-one

C6H8O3 — CID 21350939

IUPAC(4S,5R)-4,5-dihydroxycyclohex-2-en-1-one
SMILESO=C1C=C[C@H](O)[C@H](O)C1
InChIInChI=1S/C6H8O3/c7-4-1-2-5(8)6(9)3-4/h1-2,5-6,8-9H,3H2/t5-,6+/m0/s1
InChIKeyIUPXGIBMDGSUMS-NTSWFWBYSA-N
MW128.13 g/mol
LogP-0.76
Rot. Bonds

About (4S,5R)-4,5-dihydroxycyclohex-2-en-1-one

(4S,5R)-4,5-dihydroxycyclohex-2-en-1-one (PubChem CID 21350939) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is (4S,5R)-4,5-dihydroxycyclohex-2-en-1-one.

Molecular Properties

Compound Name(4S,5R)-4,5-dihydroxycyclohex-2-en-1-one
PubChem CID21350939
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name(4S,5R)-4,5-dihydroxycyclohex-2-en-1-one
SMILESO=C1C=C[C@H](O)[C@H](O)C1
InChIInChI=1S/C6H8O3/c7-4-1-2-5(8)6(9)3-4/h1-2,5-6,8-9H,3H2/t5-,6+/m0/s1
InChIKeyIUPXGIBMDGSUMS-NTSWFWBYSA-N
XLogP-0.76
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 ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4,5-dihydroxycyclohex-2-en-1-one?
The IUPAC name of (4S,5R)-4,5-dihydroxycyclohex-2-en-1-one (CID 21350939) is (4S,5R)-4,5-dihydroxycyclohex-2-en-1-one.
What is the SMILES notation for (4S,5R)-4,5-dihydroxycyclohex-2-en-1-one?
The canonical SMILES for (4S,5R)-4,5-dihydroxycyclohex-2-en-1-one is O=C1C=C[C@H](O)[C@H](O)C1.
What is the InChIKey of (4S,5R)-4,5-dihydroxycyclohex-2-en-1-one?
The InChIKey is IUPXGIBMDGSUMS-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H8O3/c7-4-1-2-5(8)6(9)3-4/h1-2,5-6,8-9H,3H2/t5-,6+/m0/s1.
What are the key properties of (4S,5R)-4,5-dihydroxycyclohex-2-en-1-one?
(4S,5R)-4,5-dihydroxycyclohex-2-en-1-one has a molecular weight of 128.13 g/mol, XLogP of -0.76, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4,5-dihydroxycyclohex-2-en-1-one is sourced from PubChem (CID 21350939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).