(2R)-2-[(E,6S,7E)-6-hydroxy-7-[(5S)-5-hydroxy-3-methyl-2-oxocyclopent-3-en-1-ylidene]-6-methylhept-2-en-2-yl]-5-methyl-2,3-dihydropyran-6-one

C20H26O5 — CID 124866451

IUPAC(2R)-2-[(E,6S,7E)-6-hydroxy-7-[(5S)-5-hydroxy-3-methyl-2-oxocyclopent-3-en-1-ylidene]-6-methylhept-2-en-2-yl]-5-methyl-2,3-dihydropyran-6-one
SMILESCC1=CC[C@H](/C(C)=C/CC[C@](C)(O)/C=C2/C(=O)C(C)=C[C@@H]2O)OC1=O
InChIInChI=1S/C20H26O5/c1-12(17-8-7-13(2)19(23)25-17)6-5-9-20(4,24)11-15-16(21)10-14(3)18(15)22/h6-7,10-11,16-17,21,24H,5,8-9H2,1-4H3/b12-6+,15-11+/t16-,17+,20-/m0/s1
InChIKeyWALMEPYKXGNNSY-XUMSBYMPSA-N
MW346.42 g/mol
LogP2.54
Rot. Bonds5

About (2R)-2-[(E,6S,7E)-6-hydroxy-7-[(5S)-5-hydroxy-3-methyl-2-oxocyclopent-3-en-1-ylidene]-6-methylhept-2-en-2-yl]-5-methyl-2,3-dihydropyran-6-one

(2R)-2-[(E,6S,7E)-6-hydroxy-7-[(5S)-5-hydroxy-3-methyl-2-oxocyclopent-3-en-1-ylidene]-6-methylhept-2-en-2-yl]-5-methyl-2,3-dihydropyran-6-one (PubChem CID 124866451) has the molecular formula C20H26O5 and a molecular weight of 346.42 g/mol. Its IUPAC name is (2R)-2-[(E,6S,7E)-6-hydroxy-7-[(5S)-5-hydroxy-3-methyl-2-oxocyclopent-3-en-1-ylidene]-6-methylhept-2-en-2-yl]-5-methyl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-2-[(E,6S,7E)-6-hydroxy-7-[(5S)-5-hydroxy-3-methyl-2-oxocyclopent-3-en-1-ylidene]-6-methylhept-2-en-2-yl]-5-methyl-2,3-dihydropyran-6-one
PubChem CID124866451
Molecular FormulaC20H26O5
Molecular Weight346.42 g/mol
Exact Mass346.18
IUPAC Name(2R)-2-[(E,6S,7E)-6-hydroxy-7-[(5S)-5-hydroxy-3-methyl-2-oxocyclopent-3-en-1-ylidene]-6-methylhept-2-en-2-yl]-5-methyl-2,3-dihydropyran-6-one
SMILESCC1=CC[C@H](/C(C)=C/CC[C@](C)(O)/C=C2/C(=O)C(C)=C[C@@H]2O)OC1=O
InChIInChI=1S/C20H26O5/c1-12(17-8-7-13(2)19(23)25-17)6-5-9-20(4,24)11-15-16(21)10-14(3)18(15)22/h6-7,10-11,16-17,21,24H,5,8-9H2,1-4H3/b12-6+,15-11+/t16-,17+,20-/m0/s1
InChIKeyWALMEPYKXGNNSY-XUMSBYMPSA-N
XLogP2.54
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2R)-2-[(E,6S,7E)-6-hydroxy-7-[(5S)-5-hydroxy-3-methyl-2-oxocyclopent-3-en-1-ylidene]-6-methylhept-2-en-2-yl]-5-methyl-2,3-dihydropyran-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[5-(furan-3-yl)pent-2-en-2-yl]-5-(4-methylpent-3-enyl)-2,3-dihydropyran-6-one
CID 162858673
(2R)-2-[(2E,6Z)-8-hydroxy-6-methylocta-2,6-dien-2-yl]-5-[(3S)-3-hydroxy-4-methylpent-4-enyl]-2,3-dihydropyran-6-one
CID 162993922
2-hydroxy-4-methyl-2H-furan-5-one
CID 5279300
(2R)-5-[(3S)-3-hydroperoxy-4-methylpent-4-enyl]-2-[(2E,6Z)-8-hydroxy-6-methylocta-2,6-dien-2-yl]-2,3-dihydropyran-6-one
CID 162905130
(5S)-5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methylcyclohex-2-en-1-ol
CID 134827941
(3Z,5R)-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-[(4S)-4-hydroxy-4-methylhex-5-enylidene]oxolan-2-one
CID 162878046
(3E)-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-(4-hydroxy-4-methylhex-5-enylidene)oxolan-2-one
CID 14633116
2-methyl-5-(3-methylbut-2-enyl)cyclohex-2-en-1-one
CID 67152484
(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-amine
CID 14658574
(3Z,3aS,5aR,9aR,9bR)-3a,6,6,9a-tetramethyl-3-[(3E,5E)-6-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]hepta-3,5-dien-2-ylidene]-4,5,5a,8,9,9b-hexahydro-1H-cyclopenta[a]naphthalene-2,7-dione
CID 162937246
N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]formamide
CID 25104904
(2S)-6-methyl-2-(4-methylphenyl)hept-5-en-2-ol
CID 46845040

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(E,6S,7E)-6-hydroxy-7-[(5S)-5-hydroxy-3-methyl-2-oxocyclopent-3-en-1-ylidene]-6-methylhept-2-en-2-yl]-5-methyl-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-2-[(E,6S,7E)-6-hydroxy-7-[(5S)-5-hydroxy-3-methyl-2-oxocyclopent-3-en-1-ylidene]-6-methylhept-2-en-2-yl]-5-methyl-2,3-dihydropyran-6-one (CID 124866451) is (2R)-2-[(E,6S,7E)-6-hydroxy-7-[(5S)-5-hydroxy-3-methyl-2-oxocyclopent-3-en-1-ylidene]-6-methylhept-2-en-2-yl]-5-methyl-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-2-[(E,6S,7E)-6-hydroxy-7-[(5S)-5-hydroxy-3-methyl-2-oxocyclopent-3-en-1-ylidene]-6-methylhept-2-en-2-yl]-5-methyl-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-2-[(E,6S,7E)-6-hydroxy-7-[(5S)-5-hydroxy-3-methyl-2-oxocyclopent-3-en-1-ylidene]-6-methylhept-2-en-2-yl]-5-methyl-2,3-dihydropyran-6-one is CC1=CC[C@H](/C(C)=C/CC[C@](C)(O)/C=C2/C(=O)C(C)=C[C@@H]2O)OC1=O.
What is the InChIKey of (2R)-2-[(E,6S,7E)-6-hydroxy-7-[(5S)-5-hydroxy-3-methyl-2-oxocyclopent-3-en-1-ylidene]-6-methylhept-2-en-2-yl]-5-methyl-2,3-dihydropyran-6-one?
The InChIKey is WALMEPYKXGNNSY-XUMSBYMPSA-N. The full InChI is InChI=1S/C20H26O5/c1-12(17-8-7-13(2)19(23)25-17)6-5-9-20(4,24)11-15-16(21)10-14(3)18(15)22/h6-7,10-11,16-17,21,24H,5,8-9H2,1-4H3/b12-6+,15-11+/t16-,17+,20-/m0/s1.
What are the key properties of (2R)-2-[(E,6S,7E)-6-hydroxy-7-[(5S)-5-hydroxy-3-methyl-2-oxocyclopent-3-en-1-ylidene]-6-methylhept-2-en-2-yl]-5-methyl-2,3-dihydropyran-6-one?
(2R)-2-[(E,6S,7E)-6-hydroxy-7-[(5S)-5-hydroxy-3-methyl-2-oxocyclopent-3-en-1-ylidene]-6-methylhept-2-en-2-yl]-5-methyl-2,3-dihydropyran-6-one has a molecular weight of 346.42 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(E,6S,7E)-6-hydroxy-7-[(5S)-5-hydroxy-3-methyl-2-oxocyclopent-3-en-1-ylidene]-6-methylhept-2-en-2-yl]-5-methyl-2,3-dihydropyran-6-one is sourced from PubChem (CID 124866451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).