5-cyclopentyl-5-[(3S,4Z)-4-(1-hydroxyethylidene)-3-methyl-5-oxooxolan-3-yl]-3,4-dimethylfuran-2-one

C₁₈H₂₄O₅ — CID 139598370

About 5-cyclopentyl-5-[(3S,4Z)-4-(1-hydroxyethylidene)-3-methyl-5-oxooxolan-3-yl]-3,4-dimethylfuran-2-one

5-cyclopentyl-5-[(3S,4Z)-4-(1-hydroxyethylidene)-3-methyl-5-oxooxolan-3-yl]-3,4-dimethylfuran-2-one (PubChem CID 139598370) has the molecular formula C₁₈H₂₄O₅ and a molecular weight of 320.38 g/mol. Its IUPAC name is 5-cyclopentyl-5-[(3S,4Z)-4-(1-hydroxyethylidene)-3-methyl-5-oxooxolan-3-yl]-3,4-dimethylfuran-2-one.

Molecular Properties

• Compound Name: 5-cyclopentyl-5-[(3S,4Z)-4-(1-hydroxyethylidene)-3-methyl-5-oxooxolan-3-yl]-3,4-dimethylfuran-2-one
• PubChem CID: 139598370
• Molecular Formula: C₁₈H₂₄O₅
• Molecular Weight: 320.38 g/mol
• Exact Mass: 320.16
• IUPAC Name: 5-cyclopentyl-5-[(3S,4Z)-4-(1-hydroxyethylidene)-3-methyl-5-oxooxolan-3-yl]-3,4-dimethylfuran-2-one
• SMILES: CC1=C(C)C(C2CCCC2)([C@]2(C)COC(=O)/C2=C(/C)O)OC1=O
• InChI: InChI=1S/C18H24O5/c1-10-11(2)18(23-15(10)20,13-7-5-6-8-13)17(4)9-22-16(21)14(17)12(3)19/h13,19H,5-9H2,1-4H3/b14-12+/t17-,18?/m1/s1
• InChIKey: AKFCAMBVOVPULU-JPLCVJJXSA-N
• XLogP: 3.20
• TPSA: 72.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	320.38
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-5-[(3S,4Z)-4-(1-hydroxyethylidene)-3-methyl-5-oxooxolan-3-yl]-3,4-dimethylfuran-2-one?

The IUPAC name of 5-cyclopentyl-5-[(3S,4Z)-4-(1-hydroxyethylidene)-3-methyl-5-oxooxolan-3-yl]-3,4-dimethylfuran-2-one (CID 139598370) is 5-cyclopentyl-5-[(3S,4Z)-4-(1-hydroxyethylidene)-3-methyl-5-oxooxolan-3-yl]-3,4-dimethylfuran-2-one.

What is the SMILES notation for 5-cyclopentyl-5-[(3S,4Z)-4-(1-hydroxyethylidene)-3-methyl-5-oxooxolan-3-yl]-3,4-dimethylfuran-2-one?

The canonical SMILES for 5-cyclopentyl-5-[(3S,4Z)-4-(1-hydroxyethylidene)-3-methyl-5-oxooxolan-3-yl]-3,4-dimethylfuran-2-one is CC1=C(C)C(C2CCCC2)([C@]2(C)COC(=O)/C2=C(/C)O)OC1=O.

What is the InChIKey of 5-cyclopentyl-5-[(3S,4Z)-4-(1-hydroxyethylidene)-3-methyl-5-oxooxolan-3-yl]-3,4-dimethylfuran-2-one?

The InChIKey is AKFCAMBVOVPULU-JPLCVJJXSA-N. The full InChI is InChI=1S/C18H24O5/c1-10-11(2)18(23-15(10)20,13-7-5-6-8-13)17(4)9-22-16(21)14(17)12(3)19/h13,19H,5-9H2,1-4H3/b14-12+/t17-,18?/m1/s1.

What are the key properties of 5-cyclopentyl-5-[(3S,4Z)-4-(1-hydroxyethylidene)-3-methyl-5-oxooxolan-3-yl]-3,4-dimethylfuran-2-one?

5-cyclopentyl-5-[(3S,4Z)-4-(1-hydroxyethylidene)-3-methyl-5-oxooxolan-3-yl]-3,4-dimethylfuran-2-one has a molecular weight of 320.38 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopentyl-5-[(3S,4Z)-4-(1-hydroxyethylidene)-3-methyl-5-oxooxolan-3-yl]-3,4-dimethylfuran-2-one is sourced from PubChem (CID 139598370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139598370 — identifiers, structure, computed properties (public domain)

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