(4R,6S)-4-[(Z)-hex-3-enyl]-4,6-dihydroxycyclohex-2-en-1-one

C12H18O3 — CID 134858528

IUPAC(4R,6S)-4-[(Z)-hex-3-enyl]-4,6-dihydroxycyclohex-2-en-1-one
SMILESCC/C=C\CC[C@]1(O)C=CC(=O)[C@@H](O)C1
InChIInChI=1S/C12H18O3/c1-2-3-4-5-7-12(15)8-6-10(13)11(14)9-12/h3-4,6,8,11,14-15H,2,5,7,9H2,1H3/b4-3-/t11-,12-/m0/s1
InChIKeyLHIBRUQRZVNYIW-WGPFEIJOSA-N
MW210.27 g/mol
LogP1.35
Rot. Bonds4

About (4R,6S)-4-[(Z)-hex-3-enyl]-4,6-dihydroxycyclohex-2-en-1-one

(4R,6S)-4-[(Z)-hex-3-enyl]-4,6-dihydroxycyclohex-2-en-1-one (PubChem CID 134858528) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is (4R,6S)-4-[(Z)-hex-3-enyl]-4,6-dihydroxycyclohex-2-en-1-one.

Molecular Properties

Compound Name(4R,6S)-4-[(Z)-hex-3-enyl]-4,6-dihydroxycyclohex-2-en-1-one
PubChem CID134858528
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name(4R,6S)-4-[(Z)-hex-3-enyl]-4,6-dihydroxycyclohex-2-en-1-one
SMILESCC/C=C\CC[C@]1(O)C=CC(=O)[C@@H](O)C1
InChIInChI=1S/C12H18O3/c1-2-3-4-5-7-12(15)8-6-10(13)11(14)9-12/h3-4,6,8,11,14-15H,2,5,7,9H2,1H3/b4-3-/t11-,12-/m0/s1
InChIKeyLHIBRUQRZVNYIW-WGPFEIJOSA-N
XLogP1.35
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Pleiogenone A
CID 122184836
(4S,5R,6R)-4,5,6-trihydroxy-6-[(Z)-nonadec-10-enyl]cyclohex-2-en-1-one
CID 122184837
(4S,5R,6R)-6-[(Z)-henicos-12-enyl]-4,5,6-trihydroxycyclohex-2-en-1-one
CID 122184838
(4R,6S)-4,6-dihydroxy-4-[(Z)-2-oxoheptadec-10-enyl]cyclohex-2-en-1-one
CID 132487858
Desoxo-Narchinol A
CID 56835056
(4R,6S)-4,6-dihydroxy-3-[(E)-3-hydroxy-3-methylbut-1-enyl]-6-methylcyclohex-2-en-1-one
CID 25750965
(4R,6S)-4,6-dihydroxy-6-(2-hydroxyethyl)cyclohex-2-en-1-one
CID 11126726
Acremine A
CID 11447472
(4S,6R)-4,6-dihydroxy-3-[(E)-3-hydroxy-3-methylbut-1-enyl]-4-methylcyclohex-2-en-1-one
CID 11736278
(4S,5R)-5-[(E)-heptadec-14-enyl]-4,5-dihydroxycyclohex-2-en-1-one
CID 10915491
(4S,5R)-4,5-dihydroxy-5-[(E)-nonadec-16-enyl]cyclohex-2-en-1-one
CID 10938041
(4S,5S)-4,5-dihydroxy-5-[(E)-nonadec-16-enyl]cyclohex-2-en-1-one
CID 11132966

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-4-[(Z)-hex-3-enyl]-4,6-dihydroxycyclohex-2-en-1-one?
The IUPAC name of (4R,6S)-4-[(Z)-hex-3-enyl]-4,6-dihydroxycyclohex-2-en-1-one (CID 134858528) is (4R,6S)-4-[(Z)-hex-3-enyl]-4,6-dihydroxycyclohex-2-en-1-one.
What is the SMILES notation for (4R,6S)-4-[(Z)-hex-3-enyl]-4,6-dihydroxycyclohex-2-en-1-one?
The canonical SMILES for (4R,6S)-4-[(Z)-hex-3-enyl]-4,6-dihydroxycyclohex-2-en-1-one is CC/C=C\CC[C@]1(O)C=CC(=O)[C@@H](O)C1.
What is the InChIKey of (4R,6S)-4-[(Z)-hex-3-enyl]-4,6-dihydroxycyclohex-2-en-1-one?
The InChIKey is LHIBRUQRZVNYIW-WGPFEIJOSA-N. The full InChI is InChI=1S/C12H18O3/c1-2-3-4-5-7-12(15)8-6-10(13)11(14)9-12/h3-4,6,8,11,14-15H,2,5,7,9H2,1H3/b4-3-/t11-,12-/m0/s1.
What are the key properties of (4R,6S)-4-[(Z)-hex-3-enyl]-4,6-dihydroxycyclohex-2-en-1-one?
(4R,6S)-4-[(Z)-hex-3-enyl]-4,6-dihydroxycyclohex-2-en-1-one has a molecular weight of 210.27 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-4-[(Z)-hex-3-enyl]-4,6-dihydroxycyclohex-2-en-1-one is sourced from PubChem (CID 134858528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).