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

C18H24O5 — CID 24850096

IUPAC(5R)-5-[4-[(1S,5R)-1-hydroxy-4-oxo-5-[(E)-2-oxopent-3-enyl]cyclopent-2-en-1-yl]butyl]oxolan-2-one
SMILESC/C=C/C(=O)C[C@H]1C(=O)C=C[C@@]1(O)CCCC[C@@H]1CCC(=O)O1
InChIInChI=1S/C18H24O5/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/h2,5,9,11,14-15,22H,3-4,6-8,10,12H2,1H3/b5-2+/t14-,15+,18+/m1/s1
InChIKeyOKGIACCGHKKYEE-UFJAJOHRSA-N
MW320.38 g/mol
LogP2.27
Rot. Bonds8

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

(5R)-5-[4-[(1S,5R)-1-hydroxy-4-oxo-5-[(E)-2-oxopent-3-enyl]cyclopent-2-en-1-yl]butyl]oxolan-2-one (PubChem CID 24850096) has the molecular formula C18H24O5 and a molecular weight of 320.38 g/mol. Its IUPAC name is (5R)-5-[4-[(1S,5R)-1-hydroxy-4-oxo-5-[(E)-2-oxopent-3-enyl]cyclopent-2-en-1-yl]butyl]oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[4-[(1S,5R)-1-hydroxy-4-oxo-5-[(E)-2-oxopent-3-enyl]cyclopent-2-en-1-yl]butyl]oxolan-2-one
PubChem CID24850096
Molecular FormulaC18H24O5
Molecular Weight320.38 g/mol
Exact Mass320.16
IUPAC Name(5R)-5-[4-[(1S,5R)-1-hydroxy-4-oxo-5-[(E)-2-oxopent-3-enyl]cyclopent-2-en-1-yl]butyl]oxolan-2-one
SMILESC/C=C/C(=O)C[C@H]1C(=O)C=C[C@@]1(O)CCCC[C@@H]1CCC(=O)O1
InChIInChI=1S/C18H24O5/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/h2,5,9,11,14-15,22H,3-4,6-8,10,12H2,1H3/b5-2+/t14-,15+,18+/m1/s1
InChIKeyOKGIACCGHKKYEE-UFJAJOHRSA-N
XLogP2.27
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-[(1S,5R)-1-hydroxy-4-oxo-5-[(E)-2-oxopent-3-enyl]cyclopent-2-en-1-yl]butyl]oxolan-2-one?
The IUPAC name of (5R)-5-[4-[(1S,5R)-1-hydroxy-4-oxo-5-[(E)-2-oxopent-3-enyl]cyclopent-2-en-1-yl]butyl]oxolan-2-one (CID 24850096) is (5R)-5-[4-[(1S,5R)-1-hydroxy-4-oxo-5-[(E)-2-oxopent-3-enyl]cyclopent-2-en-1-yl]butyl]oxolan-2-one.
What is the SMILES notation for (5R)-5-[4-[(1S,5R)-1-hydroxy-4-oxo-5-[(E)-2-oxopent-3-enyl]cyclopent-2-en-1-yl]butyl]oxolan-2-one?
The canonical SMILES for (5R)-5-[4-[(1S,5R)-1-hydroxy-4-oxo-5-[(E)-2-oxopent-3-enyl]cyclopent-2-en-1-yl]butyl]oxolan-2-one is C/C=C/C(=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-4-oxo-5-[(E)-2-oxopent-3-enyl]cyclopent-2-en-1-yl]butyl]oxolan-2-one?
The InChIKey is OKGIACCGHKKYEE-UFJAJOHRSA-N. The full InChI is InChI=1S/C18H24O5/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/h2,5,9,11,14-15,22H,3-4,6-8,10,12H2,1H3/b5-2+/t14-,15+,18+/m1/s1.
What are the key properties of (5R)-5-[4-[(1S,5R)-1-hydroxy-4-oxo-5-[(E)-2-oxopent-3-enyl]cyclopent-2-en-1-yl]butyl]oxolan-2-one?
(5R)-5-[4-[(1S,5R)-1-hydroxy-4-oxo-5-[(E)-2-oxopent-3-enyl]cyclopent-2-en-1-yl]butyl]oxolan-2-one has a molecular weight of 320.38 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[4-[(1S,5R)-1-hydroxy-4-oxo-5-[(E)-2-oxopent-3-enyl]cyclopent-2-en-1-yl]butyl]oxolan-2-one is sourced from PubChem (CID 24850096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).