(6S)-6-hydroxy-2-methyl-5-(3-methylbut-2-enyl)-6-(4-methylpent-3-enoyl)-5H-cyclopenta[b]furan-3,4-dione

C19H24O5 — CID 70884523

IUPAC(6S)-6-hydroxy-2-methyl-5-(3-methylbut-2-enyl)-6-(4-methylpent-3-enoyl)-5H-cyclopenta[b]furan-3,4-dione
SMILESCC(C)=CCC(=O)[C@@]1(O)C2=C(C(=O)C(C)O2)C(=O)C1CC=C(C)C
InChIInChI=1S/C19H24O5/c1-10(2)6-8-13-17(22)15-16(21)12(5)24-18(15)19(13,23)14(20)9-7-11(3)4/h6-7,12-13,23H,8-9H2,1-5H3/t12?,13?,19-/m1/s1
InChIKeyAFQWDBPIDKLKPH-PNQRNNEWSA-N
MW332.40 g/mol
LogP2.44
Rot. Bonds5

About (6S)-6-hydroxy-2-methyl-5-(3-methylbut-2-enyl)-6-(4-methylpent-3-enoyl)-5H-cyclopenta[b]furan-3,4-dione

(6S)-6-hydroxy-2-methyl-5-(3-methylbut-2-enyl)-6-(4-methylpent-3-enoyl)-5H-cyclopenta[b]furan-3,4-dione (PubChem CID 70884523) has the molecular formula C19H24O5 and a molecular weight of 332.40 g/mol. Its IUPAC name is (6S)-6-hydroxy-2-methyl-5-(3-methylbut-2-enyl)-6-(4-methylpent-3-enoyl)-5H-cyclopenta[b]furan-3,4-dione.

Molecular Properties

Compound Name(6S)-6-hydroxy-2-methyl-5-(3-methylbut-2-enyl)-6-(4-methylpent-3-enoyl)-5H-cyclopenta[b]furan-3,4-dione
PubChem CID70884523
Molecular FormulaC19H24O5
Molecular Weight332.40 g/mol
Exact Mass332.16
IUPAC Name(6S)-6-hydroxy-2-methyl-5-(3-methylbut-2-enyl)-6-(4-methylpent-3-enoyl)-5H-cyclopenta[b]furan-3,4-dione
SMILESCC(C)=CCC(=O)[C@@]1(O)C2=C(C(=O)C(C)O2)C(=O)C1CC=C(C)C
InChIInChI=1S/C19H24O5/c1-10(2)6-8-13-17(22)15-16(21)12(5)24-18(15)19(13,23)14(20)9-7-11(3)4/h6-7,12-13,23H,8-9H2,1-5H3/t12?,13?,19-/m1/s1
InChIKeyAFQWDBPIDKLKPH-PNQRNNEWSA-N
XLogP2.44
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze (6S)-6-hydroxy-2-methyl-5-(3-methylbut-2-enyl)-6-(4-methylpent-3-enoyl)-5H-cyclopenta[b]furan-3,4-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S)-6-hydroxy-2-methyl-5-(3-methylbut-2-enyl)-6-(4-methylpent-3-enoyl)-5H-cyclopenta[b]furan-3,4-dione?
The IUPAC name of (6S)-6-hydroxy-2-methyl-5-(3-methylbut-2-enyl)-6-(4-methylpent-3-enoyl)-5H-cyclopenta[b]furan-3,4-dione (CID 70884523) is (6S)-6-hydroxy-2-methyl-5-(3-methylbut-2-enyl)-6-(4-methylpent-3-enoyl)-5H-cyclopenta[b]furan-3,4-dione.
What is the SMILES notation for (6S)-6-hydroxy-2-methyl-5-(3-methylbut-2-enyl)-6-(4-methylpent-3-enoyl)-5H-cyclopenta[b]furan-3,4-dione?
The canonical SMILES for (6S)-6-hydroxy-2-methyl-5-(3-methylbut-2-enyl)-6-(4-methylpent-3-enoyl)-5H-cyclopenta[b]furan-3,4-dione is CC(C)=CCC(=O)[C@@]1(O)C2=C(C(=O)C(C)O2)C(=O)C1CC=C(C)C.
What is the InChIKey of (6S)-6-hydroxy-2-methyl-5-(3-methylbut-2-enyl)-6-(4-methylpent-3-enoyl)-5H-cyclopenta[b]furan-3,4-dione?
The InChIKey is AFQWDBPIDKLKPH-PNQRNNEWSA-N. The full InChI is InChI=1S/C19H24O5/c1-10(2)6-8-13-17(22)15-16(21)12(5)24-18(15)19(13,23)14(20)9-7-11(3)4/h6-7,12-13,23H,8-9H2,1-5H3/t12?,13?,19-/m1/s1.
What are the key properties of (6S)-6-hydroxy-2-methyl-5-(3-methylbut-2-enyl)-6-(4-methylpent-3-enoyl)-5H-cyclopenta[b]furan-3,4-dione?
(6S)-6-hydroxy-2-methyl-5-(3-methylbut-2-enyl)-6-(4-methylpent-3-enoyl)-5H-cyclopenta[b]furan-3,4-dione has a molecular weight of 332.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-hydroxy-2-methyl-5-(3-methylbut-2-enyl)-6-(4-methylpent-3-enoyl)-5H-cyclopenta[b]furan-3,4-dione is sourced from PubChem (CID 70884523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).