(5R)-5-[4-[(1S,5R)-1-hydroxy-5-[(E,2S)-2-hydroxypent-3-enyl]-4-oxocyclopent-2-en-1-yl]butyl]oxolan-2-one

C18H26O5 — CID 24861910

IUPAC(5R)-5-[4-[(1S,5R)-1-hydroxy-5-[(E,2S)-2-hydroxypent-3-enyl]-4-oxocyclopent-2-en-1-yl]butyl]oxolan-2-one
SMILESC/C=C/[C@@H](O)C[C@H]1C(=O)C=C[C@@]1(O)CCCC[C@@H]1CCC(=O)O1
InChIInChI=1S/C18H26O5/c1-2-5-13(19)12-15-16(20)9-11-18(15,22)10-4-3-6-14-7-8-17(21)23-14/h2,5,9,11,13-15,19,22H,3-4,6-8,10,12H2,1H3/b5-2+/t13-,14-,15+,18+/m1/s1
InChIKeyHOOVMTNOKXFQSW-NXLWZPCASA-N
MW322.40 g/mol
LogP2.07
Rot. Bonds8

About (5R)-5-[4-[(1S,5R)-1-hydroxy-5-[(E,2S)-2-hydroxypent-3-enyl]-4-oxocyclopent-2-en-1-yl]butyl]oxolan-2-one

(5R)-5-[4-[(1S,5R)-1-hydroxy-5-[(E,2S)-2-hydroxypent-3-enyl]-4-oxocyclopent-2-en-1-yl]butyl]oxolan-2-one (PubChem CID 24861910) has the molecular formula C18H26O5 and a molecular weight of 322.40 g/mol. Its IUPAC name is (5R)-5-[4-[(1S,5R)-1-hydroxy-5-[(E,2S)-2-hydroxypent-3-enyl]-4-oxocyclopent-2-en-1-yl]butyl]oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[4-[(1S,5R)-1-hydroxy-5-[(E,2S)-2-hydroxypent-3-enyl]-4-oxocyclopent-2-en-1-yl]butyl]oxolan-2-one
PubChem CID24861910
Molecular FormulaC18H26O5
Molecular Weight322.40 g/mol
Exact Mass322.18
IUPAC Name(5R)-5-[4-[(1S,5R)-1-hydroxy-5-[(E,2S)-2-hydroxypent-3-enyl]-4-oxocyclopent-2-en-1-yl]butyl]oxolan-2-one
SMILESC/C=C/[C@@H](O)C[C@H]1C(=O)C=C[C@@]1(O)CCCC[C@@H]1CCC(=O)O1
InChIInChI=1S/C18H26O5/c1-2-5-13(19)12-15-16(20)9-11-18(15,22)10-4-3-6-14-7-8-17(21)23-14/h2,5,9,11,13-15,19,22H,3-4,6-8,10,12H2,1H3/b5-2+/t13-,14-,15+,18+/m1/s1
InChIKeyHOOVMTNOKXFQSW-NXLWZPCASA-N
XLogP2.07
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5R)-5-[4-[(1S,5R)-1-hydroxy-5-[(E,2S)-2-hydroxypent-3-enyl]-4-oxocyclopent-2-en-1-yl]butyl]oxolan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-[(1S,5R)-1-hydroxy-5-[(E,2S)-2-hydroxypent-3-enyl]-4-oxocyclopent-2-en-1-yl]butyl]oxolan-2-one?
The IUPAC name of (5R)-5-[4-[(1S,5R)-1-hydroxy-5-[(E,2S)-2-hydroxypent-3-enyl]-4-oxocyclopent-2-en-1-yl]butyl]oxolan-2-one (CID 24861910) is (5R)-5-[4-[(1S,5R)-1-hydroxy-5-[(E,2S)-2-hydroxypent-3-enyl]-4-oxocyclopent-2-en-1-yl]butyl]oxolan-2-one.
What is the SMILES notation for (5R)-5-[4-[(1S,5R)-1-hydroxy-5-[(E,2S)-2-hydroxypent-3-enyl]-4-oxocyclopent-2-en-1-yl]butyl]oxolan-2-one?
The canonical SMILES for (5R)-5-[4-[(1S,5R)-1-hydroxy-5-[(E,2S)-2-hydroxypent-3-enyl]-4-oxocyclopent-2-en-1-yl]butyl]oxolan-2-one is C/C=C/[C@@H](O)C[C@H]1C(=O)C=C[C@@]1(O)CCCC[C@@H]1CCC(=O)O1.
What is the InChIKey of (5R)-5-[4-[(1S,5R)-1-hydroxy-5-[(E,2S)-2-hydroxypent-3-enyl]-4-oxocyclopent-2-en-1-yl]butyl]oxolan-2-one?
The InChIKey is HOOVMTNOKXFQSW-NXLWZPCASA-N. The full InChI is InChI=1S/C18H26O5/c1-2-5-13(19)12-15-16(20)9-11-18(15,22)10-4-3-6-14-7-8-17(21)23-14/h2,5,9,11,13-15,19,22H,3-4,6-8,10,12H2,1H3/b5-2+/t13-,14-,15+,18+/m1/s1.
What are the key properties of (5R)-5-[4-[(1S,5R)-1-hydroxy-5-[(E,2S)-2-hydroxypent-3-enyl]-4-oxocyclopent-2-en-1-yl]butyl]oxolan-2-one?
(5R)-5-[4-[(1S,5R)-1-hydroxy-5-[(E,2S)-2-hydroxypent-3-enyl]-4-oxocyclopent-2-en-1-yl]butyl]oxolan-2-one has a molecular weight of 322.40 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[4-[(1S,5R)-1-hydroxy-5-[(E,2S)-2-hydroxypent-3-enyl]-4-oxocyclopent-2-en-1-yl]butyl]oxolan-2-one is sourced from PubChem (CID 24861910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).