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

C8H10O2 — CID 10510916

IUPAC(4R,5S)-5-ethenyl-4-hydroxycyclohex-2-en-1-one
SMILESC=C[C@@H]1CC(=O)C=C[C@H]1O
InChIInChI=1S/C8H10O2/c1-2-6-5-7(9)3-4-8(6)10/h2-4,6,8,10H,1,5H2/t6-,8-/m1/s1
InChIKeyADMWCXTVMLKIGR-HTRCEHHLSA-N
MW138.17 g/mol
LogP0.68
Rot. Bonds1

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

(4R,5S)-5-ethenyl-4-hydroxycyclohex-2-en-1-one (PubChem CID 10510916) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is (4R,5S)-5-ethenyl-4-hydroxycyclohex-2-en-1-one.

Molecular Properties

Compound Name(4R,5S)-5-ethenyl-4-hydroxycyclohex-2-en-1-one
PubChem CID10510916
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name(4R,5S)-5-ethenyl-4-hydroxycyclohex-2-en-1-one
SMILESC=C[C@@H]1CC(=O)C=C[C@H]1O
InChIInChI=1S/C8H10O2/c1-2-6-5-7(9)3-4-8(6)10/h2-4,6,8,10H,1,5H2/t6-,8-/m1/s1
InChIKeyADMWCXTVMLKIGR-HTRCEHHLSA-N
XLogP0.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-ethenyl-4-hydroxycyclohex-2-en-1-one?
The IUPAC name of (4R,5S)-5-ethenyl-4-hydroxycyclohex-2-en-1-one (CID 10510916) is (4R,5S)-5-ethenyl-4-hydroxycyclohex-2-en-1-one.
What is the SMILES notation for (4R,5S)-5-ethenyl-4-hydroxycyclohex-2-en-1-one?
The canonical SMILES for (4R,5S)-5-ethenyl-4-hydroxycyclohex-2-en-1-one is C=C[C@@H]1CC(=O)C=C[C@H]1O.
What is the InChIKey of (4R,5S)-5-ethenyl-4-hydroxycyclohex-2-en-1-one?
The InChIKey is ADMWCXTVMLKIGR-HTRCEHHLSA-N. The full InChI is InChI=1S/C8H10O2/c1-2-6-5-7(9)3-4-8(6)10/h2-4,6,8,10H,1,5H2/t6-,8-/m1/s1.
What are the key properties of (4R,5S)-5-ethenyl-4-hydroxycyclohex-2-en-1-one?
(4R,5S)-5-ethenyl-4-hydroxycyclohex-2-en-1-one has a molecular weight of 138.17 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-ethenyl-4-hydroxycyclohex-2-en-1-one is sourced from PubChem (CID 10510916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).